1
  Mrv2314 01052423262D          

 45 47  0  0  1  0            999 V2000
    3.1312    1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212    0.4383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9558    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7804    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1704    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7358   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112   -0.2887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4766   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -0.2372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6966    0.4640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1640    1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4608   -0.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7565   -0.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214   -0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7388   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7175    1.7457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138    1.9901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5209    1.7204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309    1.8139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6047    1.0799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287    1.8063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5592   -0.3409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9949    0.3583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -0.2630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -1.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1514   -1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3214   -1.7201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8938   -1.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738    0.4035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9143    1.8804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4168    1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6213    1.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6353    0.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9423   -0.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509   -1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882   -1.6445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386   -1.5942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559   -1.3006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2133   -0.5418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4154   -1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9507   -1.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0273   -0.7219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  6  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7 27  1  1  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 32  1  1  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
M  END
$$$$
2
  Mrv2314 01052423262D          

 26 27  0  0  1  0            999 V2000
    2.1665   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215   -2.2521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512   -1.2125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   -0.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418   -3.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685   -2.8687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395   -2.8687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1872   -3.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5261   -1.1290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7654   -1.8657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496   -0.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  6  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$
3
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9280   -6.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 16 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$
4
  Mrv2314 01052423262D          

 55 57  0  0  1  0            999 V2000
    5.7904    2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529    3.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529    1.9441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279    1.9441    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3700    1.2008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5656    1.0173    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    2.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656    2.8710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700    2.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843    3.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821    3.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937    3.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101    4.7228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218    4.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843    0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145    0.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9131   -0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0973   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5829   -0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4275   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2433   -1.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7904    1.8336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6154    2.6586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7904    3.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1668    2.6427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    1.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    0.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    1.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    2.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    3.5941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1743    3.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    4.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567    3.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985    4.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    5.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1666    5.2092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3786    4.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393    5.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581    6.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163    5.7229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0303    0.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7959   -1.6251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7671   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3662   -2.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590   -1.1333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203   -0.4405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6 22  1  6  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  5 33  1  1  0  0  0
  6 34  1  1  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END
$$$$
5
  Mrv2314 01052423262D          

 71 72  0  0  0  0            999 V2000
   -0.7145   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -5.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088   -2.2296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988   -1.5214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584   -1.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603   -3.3683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898   -2.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8052   -2.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -3.2103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722   -4.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609   -4.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868   -3.2453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882   -2.3728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593   -2.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8928   -4.9493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5809   -4.5223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2969   -3.3179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134   -2.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092   -2.9954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668   -5.6601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6052   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9188   -3.8303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4301   -4.1125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  3  0  0  0  0
  4 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 13 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 25 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
M  END
$$$$
6
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$
7
  Mrv2314 01052423262D          

 47 47  0  0  1  0            999 V2000
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -5.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2880   -7.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7767   -7.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6086   -7.4243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2967   -6.9973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6584   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9179   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5826   -8.1351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4480   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2730   -5.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  1  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 13 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
$$$$
8
  Mrv2314 01052423262D          

 52 54  0  0  1  0            999 V2000
    3.5724   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1599   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349   -3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224   -2.5046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -6.0770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0474   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599   -4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -7.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.2039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -7.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -6.7914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484   -5.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -6.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831   -4.9880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974   -3.9336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.5046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -3.9336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -8.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -8.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -7.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -7.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -8.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599  -10.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099  -10.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974   -8.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4 38  1  1  0  0  0
  6 39  1  0  0  0  0
  7 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  0  0  0  0
 15 43  1  6  0  0  0
 19 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
$$$$
9
  Mrv2314 01052423262D          

 39 41  0  0  1  0            999 V2000
    0.6320   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841   -1.0572    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8515   -1.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -1.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -2.3268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716   -2.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.5422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -2.9942    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5338   -2.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815   -2.9942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7459   -3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308   -4.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8953   -5.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748   -5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899   -4.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9254   -3.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4812    0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0332    0.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402    0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951   -0.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431   -0.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    0.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0800    0.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189   -0.9962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476   -2.0875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543   -2.8218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -3.7285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020   -2.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0513   -4.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802   -5.8365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -6.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306   -4.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -3.1667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848    0.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782    1.7382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3922    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.1741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318   -0.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  2 17  1  1  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
$$$$
10
  Mrv2314 01052423262D          

 40 41  0  0  1  0            999 V2000
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4179    1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9270    1.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4912    0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0024    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375    1.9843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  9 18  4  0  0  0  0
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  6  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
11
  Mrv2314 01052423262D          

 45 46  0  0  1  0            999 V2000
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377    4.0074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6485    3.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9432    2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    1.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0569    0.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9249    1.2583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349    1.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390    0.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4160   -0.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1301   -0.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -2.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352   -2.6637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309   -1.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4354   -2.5330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849    0.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2092    0.2386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1135   -0.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090    0.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
  7 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  6  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
$$$$
12
  Mrv2314 01052423262D          

 39 41  0  0  1  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0349    1.3848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  2  0  0  0  0
 13 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  1  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$
13
  Mrv2314 01052423262D          

 29 28  0  0  0  0            999 V2000
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7518   -0.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105    0.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482   -1.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1895   -1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1497   -0.3442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1497   -1.0847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449   -2.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -1.8734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777   -2.7494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682   -2.8992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
$$$$
14
  Mrv2314 01052423262D          

 35 36  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 11 20  1  0  0  0  0
  3 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
 10 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 19 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$
15
  Mrv2314 01052423262D          

 46 48  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311   -5.1209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114   -4.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444   -1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
  9 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
 10 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
$$$$
16
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351   -1.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477    0.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8083    1.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728    1.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121    0.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3680   -1.6468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3084   -1.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1118    0.0876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883   -0.2136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555   -1.3177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$
17
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    0.0157    1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974    0.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198    1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288    2.2794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363    2.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5974    1.1753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877    1.6838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738    1.1236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484   -0.4536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.9732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    1.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588    2.4795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  5 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$
18
  Mrv2314 01052423262D          

 41 43  0  0  0  0            999 V2000
   -1.4534   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536    1.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575    0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5644    0.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    1.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673    1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6263    1.4402    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9606   -2.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -3.5477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624   -0.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1165   -0.1290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    2.3234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115   -1.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865   -0.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -1.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0426   -2.6655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.7192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  5 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
  4 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
$$$$
19
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$
20
  Mrv2314 01052423262D          

  8  7  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
$$$$
21
  Mrv2314 01052423262D          

  8  7  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
$$$$
22
  Mrv2314 01052423262D          

  8  7  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
$$$$
23
  Mrv2314 01052423262D          

  6  5  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
$$$$
24
  Mrv2314 01052423262D          

 18 18  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$
25
  Mrv2314 01052423262D          

 14 15  0  0  0  0            999 V2000
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  1  9  4  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$
26
  Mrv2314 01052423262D          

 12 12  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$
27
  Mrv2314 01052423262D          

 12 12  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
  1 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
$$$$
28
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$
29
  Mrv2314 01052423262D          

 15 16  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  6 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$
30
  Mrv2314 01052423262D          

  8  7  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482   -1.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1895   -1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
$$$$
31
  Mrv2314 01052423262D          

 11 10  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678    1.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
$$$$
32
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
$$$$
33
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  CHG  4   7   1   9  -1  10   1  12  -1
M  END
$$$$
34
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$
35
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$
36
  Mrv2314 01052423262D          

 10  9  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
$$$$
37
  Mrv2314 01052423262D          

 30 30  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0016   -0.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6705   -0.1424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084   -1.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983   -1.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$
38
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  4 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  CHG  4   7   1   9  -1  10   1  12  -1
M  END
$$$$
39
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  4  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$
40
  Mrv2314 01052423262D          

 46 48  0  0  0  0            999 V2000
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4179    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1078    0.7435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8702   -3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  2  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
M  END
$$$$
41
  Mrv2314 01052423262D          

 12 12  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
$$$$
42
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
$$$$
43
  Mrv2314 01052423262D          

 30 30  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.6574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   -2.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -1.7678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480   -2.3818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326    0.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752    0.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -0.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4433    1.5208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  4  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  4  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  4  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$
44
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  4 10  4  0  0  0  0
 10 11  4  0  0  0  0
  1 11  4  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
45
  Mrv2314 01052423262D          

 83 87  0  0  0  0            999 V2000
   -0.6283    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980   -0.5558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    0.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -2.6945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -3.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -4.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -5.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822   -6.1642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -6.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -5.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822   -4.6137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5643   -6.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3768   -7.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -7.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3162   -8.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141   -8.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266   -8.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087   -8.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -7.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428   -4.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249   -3.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374   -3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9677   -4.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855   -5.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731   -5.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7802   -4.1839    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7196   -2.9200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7751   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    0.6065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    0.7082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2603   -0.4541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170   -0.8066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869   -1.7567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2144   -2.1392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -1.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -0.7677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -2.9713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -2.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2424   -3.0551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.8695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -0.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0601   -0.7791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -3.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2843   -4.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -4.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742   -6.0249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6028   -5.2956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2878   -6.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -6.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742   -4.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028   -5.4823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287   -8.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681   -9.7539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5569   -9.4674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212   -7.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5393   -7.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552   -4.4705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -5.7344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632   -5.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1442    1.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197   -0.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    1.7161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583    1.8031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356    1.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9082    0.3128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896   -0.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054    0.2195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 14 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 31 34  1  0  0  0  0
 30 35  1  0  0  0  0
  6 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  7 48  1  0  0  0  0
  7 49  1  0  0  0  0
  8 50  1  0  0  0  0
  8 51  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 54  1  0  0  0  0
 11 55  1  0  0  0  0
 12 56  1  0  0  0  0
 12 57  1  0  0  0  0
 13 58  1  0  0  0  0
 13 59  1  0  0  0  0
 15 60  1  0  0  0  0
 15 61  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 64  1  0  0  0  0
 18 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 70  1  0  0  0  0
 29 71  1  0  0  0  0
 32 72  1  0  0  0  0
 33 73  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
 40 80  1  0  0  0  0
 40 81  1  0  0  0  0
 41 82  1  0  0  0  0
 41 83  1  0  0  0  0
M  END
$$$$
46
  Mrv2314 01052423262D          

 71 74  0  0  1  0            999 V2000
    5.8522    0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667    0.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9956    0.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7101    0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4246    0.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4246    1.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1391    0.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8535    0.4528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4666    1.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1811    0.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0096   -0.2146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1891   -0.3009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8535   -1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3385   -1.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589   -1.6357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4945   -0.8821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3150   -0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7999   -1.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4643   -2.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9493   -2.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6137   -3.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0986   -4.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7932   -3.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3083   -3.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6439   -2.3032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8234   -2.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641   -0.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3686    1.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042    1.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6541    1.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4397    0.7548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1378   -0.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647   -0.6742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9370    1.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1964    1.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9109   -0.6969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6514   -0.6969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    1.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6254    1.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3399   -0.6969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0804   -0.6969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7757    1.7698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0053    1.6888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0041    0.5348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6890    1.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6740   -0.9683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0536   -1.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3784   -1.7290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7280   -2.2770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -2.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9794   -1.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8301   -0.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1080   -0.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7763   -0.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -2.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6248   -1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7697   -2.7981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1551   -4.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8316   -4.5484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5153   -3.2843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8470   -3.7408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2204   -2.9524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7371   -1.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0455   -2.1145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5562   -0.1336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6738   -0.7526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1940   -1.1081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3340    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5251    2.3476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8631    1.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 20  1  0  0  0  0
 26 27  1  1  0  0  0
 13 28  1  1  0  0  0
  9 29  1  1  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 47  1  6  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 52  1  6  0  0  0
 17 53  1  1  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 21 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
M  END
$$$$
47
  Mrv2314 01052423262D          

 44 47  0  0  1  0            999 V2000
    4.3228   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.1684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.6076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.1416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2939   -0.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8421   -1.5812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6827   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469   -0.9487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -1.4647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941   -0.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970   -1.1958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023    1.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    1.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    1.9377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977    0.0139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9937   -1.2298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    2.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    2.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136    1.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -1.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492   -0.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901    1.4789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
  5 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  1  0  0  0
  6 29  1  6  0  0  0
  7 30  1  1  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  6  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$
48
  Mrv2314 01052423262D          

 46 49  0  0  1  0            999 V2000
    4.3228   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.1684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.6076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.1416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5484   -0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089   -0.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772   -1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387   -1.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508   -1.5447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083   -1.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880   -1.1854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023    1.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    1.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    1.9377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0702   -1.0982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312   -1.3562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    2.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    2.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136    1.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7804   -1.1601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492   -0.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901    1.4789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  3  0  0  0  0
 10 13  1  6  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
  5 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  1  0  0  0
  6 31  1  6  0  0  0
  7 32  1  1  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
$$$$
49
  Mrv2314 01052423262D          

 44 47  0  0  1  0            999 V2000
    4.3228   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.1684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.6076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.1416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2939   -0.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8421   -1.5812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6827   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469   -0.9487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -1.4647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941   -0.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970   -1.1958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023    1.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    1.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    1.9377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977    0.0139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9937   -1.2298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    2.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    2.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136    1.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -1.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492   -0.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901    1.4789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  6  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
  5 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  1  0  0  0
  6 29  1  6  0  0  0
  7 30  1  1  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  1  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$
50
  Mrv2314 01052423262D          

 42 45  0  0  1  0            999 V2000
    1.3895   -1.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494   -2.5921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2812   -1.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934   -2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737   -2.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858   -3.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7176   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5297   -2.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -3.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6221   -3.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782   -3.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -3.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -4.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221   -4.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418   -3.5132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0297   -3.3680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3784   -3.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955   -3.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249   -2.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4185   -1.9676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8702   -1.1792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297   -1.1073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654   -1.8117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686   -1.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8644   -1.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8153   -1.5778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189   -1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2880   -2.2173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7219   -1.7399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5585   -4.7248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -5.2535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5330   -5.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638   -4.6141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299   -5.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.1439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -4.4356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332   -4.6981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -3.2946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420   -4.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1146   -2.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -1.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  6  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  6  0  0  0
 16 36  1  1  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  1  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$
51
  Mrv2314 01052423262D          

 52 55  0  0  1  0            999 V2000
    4.5466   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    0.2673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3587   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0148    0.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7345   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -0.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6708    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0195    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -0.1416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8051   -0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446   -0.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -1.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -1.3208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2235   -0.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9306   -0.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7163   -0.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813   -0.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1996    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1741    2.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776    2.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786   -1.2634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645   -1.4759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3328   -1.3762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -1.6153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.4085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    1.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    1.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6961    0.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127   -0.3519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4866   -1.2215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -1.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3481   -1.3741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -1.6508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794   -1.7343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  1  0  0  0
 15 22  1  1  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  1  0  0  0
 12 36  1  6  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 16 41  1  6  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
M  END
$$$$
52
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  3 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
$$$$
53
  Mrv2314 01052423262D          

 31 33  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  8 17  4  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  CHG  1   8   1
M  END
$$$$
54
  Mrv2314 01052423262D          

 49 49  0  0  0  0            999 V2000
    5.6346   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3491   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0636   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7781   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6359   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3504   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0649   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7794   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4938   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2083   -6.2328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9620   -5.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5140   -6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1015   -7.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2945   -7.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6814   -7.6053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221   -5.5183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9202   -6.6453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471   -6.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7194   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6933   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4338   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1483   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4078   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1223   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8628   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5773   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8367   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5512   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0062   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2657   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9802   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7207   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4351   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6946   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4091   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1496   -6.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8641   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1236   -5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4923   -5.2653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7346   -5.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789   -6.8194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1980   -6.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0440   -8.0478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7516   -7.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
M  END
$$$$
55
  Mrv2314 01052423262D          

 38 40  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -4.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -4.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  3 28  1  0  0  0  0
  8 29  1  0  0  0  0
 10 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$
56
  Mrv2314 01052423262D          

 15 15  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$
57
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  6 15  4  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$
58
  Mrv2314 01052423262D          

 19 20  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$
59
  Mrv2314 01052423262D          

 45 47  0  0  0  0            999 V2000
   -1.8659    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515    1.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784    2.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804    1.0330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409    1.4455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    1.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206    1.5489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253    0.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -3.0549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -3.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -3.0549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715   -2.8228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2794   -2.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253   -1.4036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 17 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 16 23  4  0  0  0  0
 21 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 20 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
$$$$
60
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299    2.8594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  7 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$
61
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  9 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  5 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
62
  Mrv2314 01052423262D          

 36 35  0  0  0  0            999 V2000
   -1.3184   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783   -1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
M  END
$$$$
63
  Mrv2314 01052423262D          

 36 36  0  0  0  0            999 V2000
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858   -2.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  7 15  1  0  0  0  0
 15 16  2  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  8 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
M  END
$$$$
64
  Mrv2314 01052423262D          

 20 21  0  0  0  0            999 V2000
   -2.2657    4.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8532    5.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    5.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6157    4.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    3.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8532    3.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4761    3.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2775    3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913    4.3801    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920    3.1471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7065    3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    3.1471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354    3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8499    3.9721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0907    4.5517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2657    5.9806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6157    5.9806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2657    3.1227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0767    4.2969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362    4.2969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  6 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$
65
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
  9 16  1  0  0  0  0
  4 17  1  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$
66
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
  1 19  1  0  0  0  0
  4 20  1  0  0  0  0
 11 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$
67
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
  9 16  1  0  0  0  0
  4 17  1  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
68
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
$$$$
69
  Mrv2314 01052423262D          

 50 49  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1178   -1.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7907   -1.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719   -1.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1295   -0.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0969    0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5615   -2.2258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3584   -0.8456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115    2.2258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4084    0.8456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
M  END
$$$$
70
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  6 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 14 31  1  0  0  0  0
 18 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
$$$$
71
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9355    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
$$$$
72
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
73
  Mrv2314 01052423262D          

  8  7  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
$$$$
74
  Mrv2314 01052423262D          

 57 58  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2347   -4.4199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -3.8155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.9475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1199   -2.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155   -1.3761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3525   -1.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1084   -4.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3401   -5.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7462   -6.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329   -5.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -6.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -5.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866   -5.4225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7919   -6.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4811   -6.8949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0683   -4.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003   -3.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5959   -4.5403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0363   -2.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 15 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 17 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
M  END
$$$$
75
  Mrv2314 01052423262D          

 63 64  0  0  0  0            999 V2000
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380   -2.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424   -1.3761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104   -1.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -4.4199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340   -3.8155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287   -2.9475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0182   -4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527   -1.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518   -0.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7306   -0.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5562   -0.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350   -0.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -1.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  6 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 16 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  4 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 18 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 63  1  0  0  0  0
M  END
$$$$
76
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 10 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$
77
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$
78
  Mrv2314 01052423262D          

 24 25  0  0  0  0            999 V2000
   -1.2415   -0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2415   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895    0.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8546    0.4061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936   -0.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370   -1.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -2.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -1.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8518   -1.8051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240   -2.0708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
79
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
 11 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$
80
  Mrv2314 01052423262D          

 37 41  0  0  0  0            999 V2000
    6.2233   -2.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686   -1.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1616   -1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6094   -1.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -2.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711   -2.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1966   -3.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1963   -3.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5293   -2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844   -1.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9639   -1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281   -2.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076   -2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3229   -2.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587   -1.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150   -0.5553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355   -0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9712    0.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917    0.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2765   -0.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407   -1.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1202   -1.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0970   -0.2113    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1275    1.1238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4865    0.9518    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -0.7273    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5024   -2.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4719   -3.5697    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0302   -2.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5208   -0.8366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5602   -0.5555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9258   -3.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963   -3.5523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4560   -0.3833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9480    1.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177   -1.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 10 23  1  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 19 26  1  0  0  0  0
 15 27  1  0  0  0  0
 14 28  1  0  0  0  0
 13 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  6 33  1  0  0  0  0
 12 34  1  0  0  0  0
 22 35  1  0  0  0  0
 25 36  1  0  0  0  0
 28 37  1  0  0  0  0
M  END
$$$$
81
  Mrv2314 01052423262D          

 13 13  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
  1 11  1  0  0  0  0
  4 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
$$$$
82
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
  4 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
$$$$
83
  Mrv2314 01052423262D          

 13 13  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$
84
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  3 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$
85
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$
86
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  5 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
$$$$
87
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  5 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$
88
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
 11 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$
89
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  3 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  5 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  CHG  4   7   1   9  -1  10   1  12  -1
M  END
$$$$
90
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  4 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
M  CHG  4   8   1  10  -1  11   1  13  -1
M  END
$$$$
91
  Mrv2314 01052423262D          

 37 37  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   -0.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -1.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509    0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9556    1.0237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3212    1.0929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  6 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
$$$$
92
  Mrv2314 01052423262D          

 44 44  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    3.5768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.3002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1233    1.4796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    2.3791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    0.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -2.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   -2.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047   -2.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.1928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637   -0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  7 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$
93
  Mrv2314 01052423262D          

 38 38  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9666   -0.4670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  6 26  1  0  0  0  0
  9 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$
94
  Mrv2314 01052423262D          

 41 40  0  0  0  0            999 V2000
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    1.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7492    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4637    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7232    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    1.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1521    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8666    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6071    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7927    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    1.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
M  END
$$$$
95
  Mrv2314 01052423262D          

 13 13  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  3  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
$$$$
96
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299    2.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$
97
  Mrv2314 01052423262D          

 60 60  0  0  0  0            999 V2000
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -6.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -8.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9179   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6584   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3729   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6323   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3468   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0873   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8018   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0613   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2307   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4902   -6.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3708   -8.3803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3708   -8.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2771  -10.4834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2730  -10.6145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6574   -9.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0863   -7.6385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7019   -6.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7061   -6.8416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
M  END
$$$$
98
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$
99
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$
100
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
M  CHG  4   8   1  10  -1  11   1  13  -1
M  END
$$$$
101
  Mrv2314 01052423262D          

 48 48  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    0.3017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139    1.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9237    0.5160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1943   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4949   -1.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003   -0.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513   -0.8362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -0.0227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2757   -2.2345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -2.3628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535   -1.4316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  6 29  1  0  0  0  0
  8 30  1  0  0  0  0
 11 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
M  END
$$$$
102
  Mrv2314 01052423262D          

 37 37  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   -0.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -1.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104    0.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424    1.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
$$$$
103
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  4 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
104
  Mrv2314 01052423262D          

 30 29  0  0  0  0            999 V2000
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8653    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7492    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1781    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1521    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$
105
  Mrv2314 01052423262D          

 42 43  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -1.8635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  8 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  7 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
$$$$
106
  Mrv2314 01052423262D          

 26 28  0  0  0  0            999 V2000
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
  9 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
$$$$
107
  Mrv2314 01052423262D          

 18 18  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978    0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$
108
  Mrv2314 01052423262D          

 22 21  0  0  0  0            999 V2000
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1308    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
$$$$
109
  Mrv2314 01052423262D          

 39 38  0  0  0  0            999 V2000
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    4.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3203    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7492    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4637    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7232    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1781    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3801    2.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8688    2.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7007    2.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3888    2.4606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1788    3.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7890    3.9870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7953    3.8522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0690    4.7847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6988    4.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4187    5.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
M  END
$$$$
110
  Mrv2314 01052423262D          

 23 24  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  8 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$
111
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$
112
  Mrv2314 01052423262D          

 23 23  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$
113
  Mrv2314 01052423262D          

 18 18  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$
114
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482   -2.5968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1895   -2.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7518   -1.6901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105   -1.3198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857   -3.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -3.6815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4303   -4.3476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9947   -4.3476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0815   -4.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693   -3.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   -2.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -1.6547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$
115
  Mrv2314 01052423262D          

 11 10  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
$$$$
116
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  5 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  4 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$
117
  Mrv2314 01052423262D          

 16 17  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$
118
  Mrv2314 01052423262D          

 15 16  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$
119
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$
120
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403   -0.6260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  3 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
$$$$
121
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$
122
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$
123
  Mrv2314 01052423262D          

 20 21  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  4  0  0  0  0
  1 10  4  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  5 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$
124
  Mrv2314 01052423262D          

 25 27  0  0  0  0            999 V2000
    1.9339   -0.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.0694    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1544   -0.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515    0.6825    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5466   -1.4139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213   -1.4139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    1.6387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896    1.6387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  1  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
$$$$
125
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$
126
  Mrv2314 01052423262D          

 23 24  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$
127
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   -0.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -1.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104    0.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424    1.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  4 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
$$$$
128
  Mrv2314 01052423262D          

 29 29  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$
129
  Mrv2314 01052423262D          

 28 28  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -0.0307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
$$$$
130
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.7022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$
131
  Mrv2314 01052423262D          

 34 35  0  0  0  0            999 V2000
   -1.8653    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0368    1.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6722    0.2299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4784   -0.1506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307   -0.9144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5618   -1.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6149   -1.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960   -0.1085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018   -0.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -0.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -2.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -4.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$
132
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4 15  1  0  0  0  0
  3 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  5 19  1  0  0  0  0
  8 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
133
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  6 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 14 31  1  0  0  0  0
 18 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
$$$$
134
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$
135
  Mrv2314 01052423262D          

 32 33  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
  3 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$
136
  Mrv2314 01052423262D          

 32 33  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
  3 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$
137
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
$$$$
138
  Mrv2314 01052423262D          

 35 36  0  0  1  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
  9 21  1  0  0  0  0
  4 22  1  0  0  0  0
  3 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  5 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  6  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
$$$$
139
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$
140
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
  4 19  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7 24  1  0  0  0  0
 13 25  1  0  0  0  0
 15 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
$$$$
141
  Mrv2314 01052423262D          

 32 33  0  0  1  0            999 V2000
    0.1067    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    4.3527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    5.5902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6548    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097    1.0206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7347    1.0206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9897    1.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401    0.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.3532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3957    0.4394    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2161    0.5257    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.5192    4.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    5.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3058    5.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    3.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    4.7652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573    2.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1577    1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0817    2.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843    0.2856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5496    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719   -0.3928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042   -0.4432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8643    0.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  1  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 12 17  1  6  0  0  0
 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  7 24  1  0  0  0  0
 10 25  1  6  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  1  0  0  0
 13 29  1  6  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
$$$$
142
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$
143
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  6 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
$$$$
144
  Mrv2314 01052423262D          

 24 25  0  0  0  0            999 V2000
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  2  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  5 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$
145
  Mrv2314 01052423262D          

 24 26  0  0  0  0            999 V2000
    1.9339    1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213    2.2389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    2.2389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -1.5983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  4 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$
146
  Mrv2314 01052423262D          

 24 23  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1427    3.3809    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7972    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    3.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3696    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
$$$$
147
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  6 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$
148
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$
149
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  3 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
$$$$
150
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$
151
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389   -1.1365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  7 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$
152
  Mrv2314 01052423262D          

 37 37  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1877    2.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6947    1.8103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9147    3.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094    4.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    4.8324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676    2.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    3.0967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4913    1.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0564    1.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291    1.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196    1.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2472    1.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1367    2.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2479    0.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7645    0.5148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
$$$$
153
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.7022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$
154
  Mrv2314 01052423262D          

 28 28  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    3.5768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.3002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1233    1.4796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    2.3791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.7022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622    0.5093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
$$$$
155
  Mrv2314 01052423262D          

 62 65  0  0  0  0            999 V2000
    5.8263   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337   -6.7077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689   -6.7077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689   -4.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337   -4.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6842   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2579    1.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7904   -1.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
M  END
$$$$
156
  Mrv2314 01052423262D          

 41 43  0  0  0  0            999 V2000
    2.4943    2.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193    2.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318    2.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193    1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943    1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    2.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318    0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3818   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6193   -1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068   -2.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3818   -2.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693   -1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6193   -2.7858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0173    0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173   -0.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848   -0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4298   -1.7205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -1.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499   -0.9359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4463    1.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607    1.6115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    3.6444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318    3.6444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5568    2.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    0.7865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568    2.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -0.3813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963   -0.7516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6586    0.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    0.8957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6193    0.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4443   -1.3569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693   -2.7858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443   -1.3569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640    1.0633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937    0.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -1.1908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199   -2.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
  7 23  1  0  0  0  0
 23 24  3  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$
157
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$
158
  Mrv2314 01052423262D          

 32 32  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
$$$$
159
  Mrv2314 01052423262D          

 28 28  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  2 14  1  0  0  0  0
 14 15  2  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  9 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$
160
  Mrv2314 01052423262D          

 45 49  0  0  0  0            999 V2000
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267    2.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394    1.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0679    2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121    3.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8994    3.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5066    2.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4952    3.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389    2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190    2.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    3.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489    3.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    2.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    4.3855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2903    1.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1719    1.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693    2.5763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    4.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7451    3.6639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3152    4.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677    2.1929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    4.4831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3938    2.9653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9744    1.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3789    4.3942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  6 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
$$$$
161
  Mrv2314 01052423262D          

 57 60  0  0  0  0            999 V2000
    5.8263   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337   -3.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689   -3.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689   -0.7173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337   -0.7173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END
$$$$
162
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9683   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2624   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  END
$$$$
163
  Mrv2314 01052423262D          

 41 43  0  0  0  0            999 V2000
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411   -1.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146   -2.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321   -0.9327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321    1.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411    1.9657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840   -0.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
$$$$
164
  Mrv2314 01052423262D          

 20 21  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$
165
  Mrv2314 01052423262D          

 39 40  0  0  0  0            999 V2000
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7998   -1.6908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1585   -2.0611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8387    0.2392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2949   -0.6307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8112   -2.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  7 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$
166
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  3 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$
167
  Mrv2314 01052423262D          

 53 54  0  0  0  0            999 V2000
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9403   -1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7268   -1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5035   -1.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6096   -2.8149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -3.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1557   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588   -0.4406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    0.3024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393    0.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    0.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  6 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 14 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END
$$$$
168
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$
169
  Mrv2314 01052423262D          

 35 36  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$
170
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
171
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$
172
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  CHG  4   9   1  11  -1  12   1  14  -1
M  END
$$$$
173
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$
174
  Mrv2314 01052423262D          

 47 50  0  0  1  0            999 V2000
    4.5466   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    0.2673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3587   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0148    0.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7345   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -0.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6708    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0195    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596   -0.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -1.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -1.3208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2235   -0.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9306   -0.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7163   -0.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813   -0.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1996    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1741    2.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776    2.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786   -1.2634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645   -1.4759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3328   -1.3762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -1.6153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.4085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    1.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    1.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -0.7196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315   -1.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8525   -1.7163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 21  1  1  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  7 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  1  0  0  0
 12 35  1  6  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 16 40  1  6  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
$$$$
175
  Mrv2314 01052423262D          

 25 26  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$
176
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$
177
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$
178
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$
179
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$
180
  Mrv2314 01052423262D          

 34 35  0  0  0  0            999 V2000
    0.7145    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    2.9812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376    3.2361    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827    4.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925    2.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222    3.4910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353    2.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937    4.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679    0.8617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    3.2361    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    6.7661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    6.7661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7863    4.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6873    3.5521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484    2.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    2.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8868    4.4695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653    5.1050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    4.1265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  3  0  0  0  0
  9 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$
181
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$
182
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$
183
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$
184
  Mrv2314 01052423262D          

 32 33  0  0  0  0            999 V2000
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$
185
  Mrv2314 01052423262D          

 34 35  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827   -0.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222   -1.2125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -2.2521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -4.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864   -2.8282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0071   -1.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498   -0.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2438    0.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -2.4611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0170   -2.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045   -2.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
$$$$
186
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
$$$$
187
  Mrv2314 01052423262D          

 34 34  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$
188
  Mrv2314 01052423262D          

 32 32  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END
$$$$
189
  Mrv2314 01052423262D          

 33 33  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
$$$$
190
  Mrv2314 01052423262D          

 30 30  0  0  0  0            999 V2000
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8768    1.3392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751    2.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6128    2.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748    2.6123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6408    1.8619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1610    1.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2016    0.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8449   -0.8467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825   -0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5712   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8711   -0.1975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518   -1.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3303   -1.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699    0.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870    0.8181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174   -0.0378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
M  RAD  1  12   2
M  END
$$$$
191
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  4 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$
192
  Mrv2314 01052423262D          

 31 32  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 13 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 14 29  1  0  0  0  0
 16 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$
193
  Mrv2314 01052423262D          

 58 60  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -3.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6052   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
$$$$
194
  Mrv2314 01052423262D          

 28 28  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   -0.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -1.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104    0.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424    1.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
$$$$
195
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
196
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
$$$$
197
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
$$$$
198
  Mrv2314 01052423262D          

 15 15  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
$$$$
199
  Mrv2314 01052423262D          

 25 26  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$
200
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
$$$$
201
  Mrv2314 01052423262D          

 37 37  0  0  0  0            999 V2000
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
$$$$
202
  Mrv2314 01052423262D          

 29 29  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
$$$$
203
  Mrv2314 01052423262D          

 23 23  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$
204
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.7022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    0.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$
205
  Mrv2314 01052423262D          

 32 33  0  0  0  0            999 V2000
    0.1624   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.1768    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8871   -5.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311   -5.9305    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583   -3.5832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240   -4.4899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515   -2.8490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507   -1.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662   -2.1371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -2.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -4.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009   -1.3786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915   -0.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055    0.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  8 26  1  0  0  0  0
 10 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 22 30  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
$$$$
206
  Mrv2314 01052423262D          

 31 33  0  0  0  0            999 V2000
   -0.4720    0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    0.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870    0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -0.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270   -0.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841   -1.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8515   -1.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -1.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -2.3268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716   -2.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -2.9942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.5422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4812    0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0332    0.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402    0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951   -0.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431   -0.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899    1.7382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    1.0941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299   -1.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340   -0.1741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815   -2.9942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -0.7408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962   -0.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1895    1.7636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3922    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.1741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318   -0.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
 10 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$
207
  Mrv2314 01052423262D          

 51 54  0  0  1  0            999 V2000
    4.5466   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    0.2673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3587   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072    1.0432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5754    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0148    0.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7345   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -0.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6708    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0195    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -0.1416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0596   -0.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -1.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -1.3208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2235   -0.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9306   -0.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7163   -0.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813   -0.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5180    1.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8216    2.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1741    2.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776    2.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1600   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786   -1.2634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645   -1.4759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3328   -1.3762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -1.6153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.4085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    1.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    1.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7557    0.0139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9361   -1.6086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -0.7196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315   -1.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8525   -1.7163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  1  0  0  0
 15 21  1  1  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  6  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  1  0  0  0
 12 37  1  6  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 16 42  1  6  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  6  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
M  END
$$$$
208
  Mrv2314 01052423262D          

 18 18  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$
209
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  0  0  0  0
 11 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 19 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
$$$$
210
  Mrv2314 01052423262D          

 33 33  0  0  0  0            999 V2000
   -0.9836   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2691   -3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598   -3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888   -3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177   -3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1040   -2.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9109   -2.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234   -3.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1439   -3.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -3.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -3.1205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -4.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5711   -4.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1012   -2.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6394   -2.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8156   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301   -2.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7896   -2.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590   -2.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185   -2.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6735   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609   -4.2464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8218   -1.8268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3035   -2.4024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5610   -1.9226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534   -1.6075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
M  END
$$$$
211
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  4 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  5 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
$$$$
212
  Mrv2314 01052423262D          

 20 21  0  0  0  0            999 V2000
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  4 11  4  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$
213
  Mrv2314 01052423262D          

 23 24  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$
214
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  4 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
  8 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$
215
  Mrv2314 01052423262D          

 16 17  0  0  0  0            999 V2000
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$
216
  Mrv2314 01052423262D          

 36 39  0  0  0  0            999 V2000
    1.5246    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    3.2189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451    2.1693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    2.9071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4951    2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5753    1.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154    0.1007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352   -1.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149   -0.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -1.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657   -0.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    0.7243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.9716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647   -1.3025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -1.4584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
  3 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
  2 19  4  0  0  0  0
 14 19  4  0  0  0  0
 13 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$
217
  Mrv2314 01052423262D          

 29 31  0  0  0  0            999 V2000
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 10 17  4  0  0  0  0
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  8 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
$$$$
218
  Mrv2314 01052423262D          

 18 19  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$
219
  Mrv2314 01052423262D          

 24 26  0  0  0  0            999 V2000
   -0.0734   -3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -2.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859   -3.2835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878   -4.4104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391   -4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1129   -0.4834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  4 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$
220
  Mrv2314 01052423262D          

 25 27  0  0  0  0            999 V2000
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  4 14  4  0  0  0  0
  9 14  4  0  0  0  0
  8 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$
222
  Mrv2314 01052423262D          

 52 52  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4045   -1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0343   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112    0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6815    0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992    1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    1.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148    2.0906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148    3.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7821    0.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7583    0.9730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0740    1.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  6 32  1  0  0  0  0
  8 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
$$$$
223
  Mrv2314 01052423262D          

 22 24  0  0  0  0            999 V2000
    1.3377    0.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127    0.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2578    0.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4959    1.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853    2.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390    2.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5926    0.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    1.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651    2.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4525   -0.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2288   -0.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979   -0.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1634    0.6621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358    2.3031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009    3.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    0.6621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    2.3031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8805    3.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  4  0  0  0  0
  1  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
224
  Mrv2314 01052423262D          

 20 22  0  0  0  0            999 V2000
   -0.5821   -1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853   -1.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390   -1.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2578    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4959   -0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127    0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5926    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463   -0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651   -1.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358   -1.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009   -2.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1634    0.1629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0278    1.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8226    1.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    0.1629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -1.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8805   -2.4443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  3 12  4  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$
225
  Mrv2314 01052423262D          

 20 19  0  0  0  0            999 V2000
    3.3809    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    1.5377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536    1.0302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117    0.1705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -0.7334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189   -0.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    0.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  4 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$
226
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  4 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$
227
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  3  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$
228
  Mrv2314 01052423262D          

 38 38  0  0  0  0            999 V2000
    5.3329   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.1105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3722    1.2783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309    1.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347    1.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4934    2.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2849    1.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436    1.2783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$
229
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$
230
  Mrv2314 01052423262D          

 62 61  0  0  0  0            999 V2000
   -5.9072    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1927    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4783    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404   -0.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3197    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6217    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4947    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8225    2.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5630    2.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8485    0.8022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1080    0.8022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3935    2.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1341    2.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051   -0.4353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9646   -0.4353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6078   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4706   -1.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4706   -1.0587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3576   -1.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3576   -2.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4706   -3.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4706   -2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -3.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474    2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
M  END
$$$$
231
  Mrv2314 01052423262D          

 19 20  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  7 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  6 13  4  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$
232
  Mrv2314 01052423262D          

 31 32  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.9520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.5230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  5 27  1  0  0  0  0
 14 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 24 31  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
$$$$
233
  Mrv2314 01052423262D          

  7  6  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
$$$$
234
  Mrv2314 01052423262D          

 68 72  0  0  1  0            999 V2000
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5403    0.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9774    0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276    1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7521    1.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530    1.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405   -2.1928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405   -2.7572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4910   -0.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4910    0.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1705    2.3706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6003    2.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4981    1.2587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304    2.3191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3823   -4.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1675   -4.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
  9 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  2  0  0  0  0
 23 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 22 29  4  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 15 32  1  0  0  0  0
 11 33  1  1  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 11 37  1  6  0  0  0
  4 38  1  0  0  0  0
  3 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2 43  1  6  0  0  0
  3 44  1  6  0  0  0
  4 45  1  6  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6 48  1  1  0  0  0
  9 49  1  1  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 19 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
 38 66  1  0  0  0  0
 38 67  1  0  0  0  0
 39 68  1  0  0  0  0
M  END
$$$$
235
  Mrv2314 01052423262D          

 35 39  0  0  1  0            999 V2000
    6.9148    2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0258    1.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3733    1.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4843    0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2478    0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3589   -0.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1706   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5289   -1.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613   -0.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9910    0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7064   -1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8174   -1.9651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9429   -0.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8319   -0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0684    0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3252   -0.0631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9345   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   -0.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0117    0.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7549    0.5330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1456    1.2596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9574    1.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6098    1.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323    2.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8037    3.4448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0973    2.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3353   -0.3489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2310    0.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5019    1.1807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7397    1.3188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8956   -0.6592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9163   -1.6145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5266   -1.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1846    1.1291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4988    2.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 14  4  0  0  0  0
 14 15  4  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 22  4  0  0  0  0
 22 23  4  0  0  0  0
  3 23  4  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 16 31  1  1  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 20 34  1  1  0  0  0
 23 35  1  0  0  0  0
M  END
$$$$
236
  Mrv2314 01052423262D          

 38 38  0  0  0  0            999 V2000
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -4.7084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -3.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168   -2.2301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433   -0.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320   -1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$
237
  Mrv2314 01052423262D          

 38 38  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7815    2.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    2.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090    2.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003    3.7725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4949    4.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1943    5.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085    3.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0956    1.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    0.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    2.7787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$
238
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
    1.9520    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6115   -0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0466    2.3044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    2.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976    2.5083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$
239
  Mrv2314 01052423262D          

 28 27  0  0  0  0            999 V2000
    1.9520    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975   -0.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -0.4949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699    0.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208    1.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.9134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153    0.3090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6607   -0.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925    2.1696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1229    2.6449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018    2.4705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$
240
  Mrv2314 01052423262D          

 26 29  0  0  1  0            999 V2000
    2.7165    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102    1.4493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2247    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102   -0.2007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6831    0.2420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6831    1.0670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0813    1.4493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3668    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -0.2007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2875    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940   -0.3143    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.6026    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9404   -1.0733    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846   -0.2101    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852    1.4581    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9482    2.3219    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9707    0.9771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9707    0.2714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7955    2.2234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392    1.4493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392   -0.2007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783   -0.9810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139   -0.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    1.7636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  1  0  0  0
 10 16  1  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  1  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  6  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  6  0  0  0
  6 25  1  1  0  0  0
  7 26  1  1  0  0  0
M  END
$$$$
241
  Mrv2314 01052423262D          

 62 64  0  0  0  0            999 V2000
    3.7249    4.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427    3.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    3.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481    2.5567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    1.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    2.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390    0.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962    1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    3.2384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.4134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    1.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    2.1834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347    1.1438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097    1.1438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548    1.9285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401    0.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002    3.9682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071    5.0257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9497    4.5326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    2.6724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2003    3.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4518    2.3868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0336    1.5792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693    0.0287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444   -0.2578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    0.5274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432    1.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    2.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6166    2.8103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246    1.5886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1914    4.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509    4.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427    2.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578    3.3067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    4.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780    4.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756    3.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    3.2864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580   -0.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5815   -0.0465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9539    1.3831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8606    0.6489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1264   -0.2578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138    1.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1971    2.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480    1.0927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0538    0.4401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8191    0.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END
$$$$
242
  Mrv2314 01052423262D          

 48 49  0  0  0  0            999 V2000
    1.6418    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    4.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6814    4.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5064    4.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9913    5.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7613    4.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0939    3.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0939    2.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084    2.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228    2.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084    1.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2209    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472    0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740    0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353    0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353   -0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2209   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965    5.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    6.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471    7.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869    4.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8572    3.6408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8968    3.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3344    3.5573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588    3.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115    1.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    1.4722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.0897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832   -0.6831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563   -0.0198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344    1.6588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493    0.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707    0.2410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498    0.8888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373   -1.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3643   -1.1737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   -0.0467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3986   -0.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9809   -1.5505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669   -1.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246    5.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5020    5.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3525    6.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827    7.7776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266    6.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$
243
  Mrv2314 01052423262D          

 46 46  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  4  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 17 30  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  3 36  1  0  0  0  0
  6 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 25 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  CHG  4  11  -1  29  -1  31   1  32   1
M  END
$$$$
244
  Mrv2314 01052423262D          

 37 37  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245    0.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4372    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299    2.8594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878    3.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    4.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969    4.3305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1404    1.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6215    1.0669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4786    0.3511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    1.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0085    2.2189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7852    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
$$$$
245
  Mrv2314 01052423262D          

 35 38  0  0  0  0            999 V2000
    1.6288    0.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    0.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    1.1821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210    2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    1.6996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082    2.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    0.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3659    0.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629    1.4587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4230    3.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797    3.5216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014    3.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806    3.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    4.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4503    4.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712    5.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467    4.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683    0.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090   -0.5271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -0.0864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1006    2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853    0.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    0.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7194    3.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2952    3.8637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701    2.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3842    3.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747    5.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5164    5.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7324    4.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  5 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  9 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
$$$$
246
  Mrv2314 01052423262D          

 41 41  0  0  0  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321   -2.6885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123   -1.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968   -2.6414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609   -2.7697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722   -2.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073   -1.7282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488   -4.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -5.2268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4546   -5.2268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249   -4.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  6 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
M  END
$$$$
247
  Mrv2314 01052423262D          

 32 32  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$
248
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    0.9966    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -3.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -2.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    1.0945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234    1.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    0.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -0.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2959   -1.1234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -1.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -0.7677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -2.9713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -2.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -2.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197   -0.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579    1.8087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303   -0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896   -0.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784    1.3402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0838    2.2587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  8 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$
249
  Mrv2314 01052423262D          

 52 54  0  0  1  0            999 V2000
   -7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5749   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1436   -3.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -3.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3864   -3.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6323   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3729   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5749   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 25 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 24 30  4  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  1  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 15 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 22 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
M  END
$$$$
250
  Mrv2314 01052423262D          

 60 62  0  0  0  0            999 V2000
   -6.4480    5.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8960    4.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1509    3.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5989    3.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8538    2.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3689    1.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8538    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6823    0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2954   -0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0800   -0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2516    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6385    1.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6385    2.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5439    1.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1314    2.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1314    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3064    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3064   -0.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1314   -0.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5439    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5439   -1.1465    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939   -1.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689   -1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6564   -1.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8314   -1.8609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -2.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -2.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689    0.2825    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8349    5.7263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0001    5.7874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0611    4.6223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0979    4.3523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2518    5.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9491    3.9855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7951    3.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8008    2.9546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9548    3.6789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8977   -0.0179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1239   -1.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6931   -0.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0362    1.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939    1.7114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1775    0.8109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3796   -0.6931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0210   -0.3229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457   -2.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7044   -2.6845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -3.0287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -3.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -3.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2311   -2.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -1.7504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -0.3229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -0.6931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683   -1.4622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894   -0.5631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904   -0.3843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  4  0  0  0  0
  5 13  4  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 18 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 44  1  0  0  0  0
 17 45  1  0  0  0  0
 21 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END
$$$$
251
  Mrv2314 01052423262D          

 45 46  0  0  0  0            999 V2000
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -8.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -7.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -9.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020  -11.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309  -11.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -9.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  8  5  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  4  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
  4 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$
252
  Mrv2314 01052423262D          

 44 46  0  0  0  0            999 V2000
    2.3747    3.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    2.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603    2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1997    3.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    4.4570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    3.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2478    3.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9458    1.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0728    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9128    2.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    3.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    1.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    1.5695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682    1.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -2.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8612   -1.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462   -1.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -2.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9277    1.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  7 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$
253
  Mrv2314 01052423262D          

 30 28  0  0  0  0            999 V2000
   -1.5015    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890    3.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765    1.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485   -0.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610   -0.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9735   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860   -2.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985   -3.1151    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715   -2.8131    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005   -1.9881    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -2.0987    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6880   -1.2737    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535   -1.3842    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755   -0.5592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660   -0.6697    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630    0.1553    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785    0.0448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505    0.8698    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910    0.7592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0380    1.5842    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035    1.4737    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3745    2.2987    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3265    2.6007    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6933   -0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5183   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8683    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  1 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  CHG  2  25  -1  26   1
M  END
$$$$
254
  Mrv2314 01052423262D          

 34 34  0  0  0  0            999 V2000
    0.4663    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054    3.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473    3.3765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    3.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516    2.5370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948    1.5977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2344    1.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    1.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351    2.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    1.9689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751    2.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    3.9087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081    4.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8509    4.7944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859    4.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    2.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    2.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    3.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  6 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$
255
  Mrv2314 01052423262D          

 44 46  0  0  1  0            999 V2000
    2.5600    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620    0.6773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6773    0.9323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    1.7573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4620    2.0122    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    1.7573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1477    0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    0.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    2.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5279    2.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414    1.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    2.7105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9082    2.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1217    1.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9186    1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5019    2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2884    2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4915    3.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2988    1.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8977    3.5074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169   -0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239   -0.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649   -0.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    1.2837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1731    2.4488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0079    2.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2768    0.5483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    2.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9099    1.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5175    3.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3248    1.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    0.9032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1321    0.6897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8718    3.4502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2780    3.8772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8822    2.4397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1009    3.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811    4.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579   -0.5488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5027   -0.0303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1037    0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3834    0.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  6  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  2 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  1  0  0  0
  5 30  1  6  0  0  0
  7 31  1  6  0  0  0
 10 32  1  0  0  0  0
 13 33  1  6  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
$$$$
256
  Mrv2314 01052423262D          

 23 23  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    1.7803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    2.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535    0.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$
257
  Mrv2314 01052423262D          

 21 22  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
  4 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
$$$$
258
  Mrv2314 01052423262D          

 24 26  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  4  0  0  0  0
 13 14  4  0  0  0  0
  1 14  4  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$
259
  Mrv2314 01052423262D          

 30 32  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  8 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$
260
  Mrv2314 01052423262D          

 37 40  0  0  1  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609    0.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722    0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929    0.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  5 14  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
  9 18  4  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  7 28  1  1  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$
261
  Mrv2314 01052423262D          

 71 74  0  0  0  0            999 V2000
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    0.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163    0.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4412   -1.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3716   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0860   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3455   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5150   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7745   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6828   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3125   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7745   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5150   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6066   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9769   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142   -3.0331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0302   -3.1752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5787   -2.6936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335   -1.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2175   -2.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679   -3.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    1.5234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    1.1533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432    0.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    1.3358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717    1.5516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  3 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 20 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
M  END
$$$$
262
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$
263
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  5 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$
264
  Mrv2314 01052423262D          

 41 41  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -5.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -4.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -4.7836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301   -4.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188   -4.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3652   -5.6968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828   -5.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -4.6732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$
265
  Mrv2314 01052423262D          

 76 79  0  0  1  0            999 V2000
   -0.4951   -5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -5.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8928   -5.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366   -4.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887   -3.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762   -3.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692   -3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.9995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460   -3.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605   -4.4120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6749   -3.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -4.4120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1039   -3.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5328   -3.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183   -5.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -5.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605   -5.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439   -2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7855   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5701   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416   -2.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285   -2.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1832   -0.9709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117   -2.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322   -2.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5678   -1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2624   -0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9268   -1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3091   -3.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7941   -3.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447   -4.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4652   -4.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007   -5.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6212   -5.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1061   -4.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7706   -4.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9501   -3.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471   -6.3071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180   -6.2461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570   -5.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2797   -5.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9360   -4.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6997   -5.2254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673   -6.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870   -5.0219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -3.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780   -3.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892   -3.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749   -4.8245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980   -3.6022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099   -3.1752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1039   -4.8245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336   -3.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -3.1861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2308   -5.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -6.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0765   -6.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122   -1.5651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139   -0.4610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633   -2.4043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9570   -2.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171   -2.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882   -1.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184    0.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7774   -0.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -2.3084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1296   -3.8944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3158   -6.0692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9568   -6.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9266   -4.9068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2555   -3.3995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363   -3.1602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
  5 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 36 41  4  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2 45  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  3 48  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 53  1  1  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 56  1  1  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 70  1  0  0  0  0
 35 71  1  0  0  0  0
 37 72  1  0  0  0  0
 38 73  1  0  0  0  0
 39 74  1  0  0  0  0
 40 75  1  0  0  0  0
 41 76  1  0  0  0  0
M  END
$$$$
266
  Mrv2314 01052423262D          

 28 28  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$
267
  Mrv2314 01052423262D          

 44 46  0  0  1  0            999 V2000
    0.0979    3.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542    4.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    5.3262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0072    5.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4197    4.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183    3.7208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3299    3.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    3.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134    4.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    3.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    2.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    2.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    2.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    2.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096    2.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    1.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    4.6113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    3.8769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518    6.1145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1301    6.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216    5.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1341    4.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1876    4.1873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794    3.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    2.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348    2.7960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3826    3.1179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    4.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    5.4246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    3.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1271    3.2351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384    3.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6529    1.5965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096    1.4673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096   -0.1827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -1.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.1827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    1.4673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  1  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  1  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$
268
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$
269
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
   -2.5223   -4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153   -3.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -3.1062    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757   -3.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2450   -2.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4165   -2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -2.3215    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6938   -3.2553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3292   -4.2338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507   -4.8693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6095   -1.8727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5880   -1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2235   -2.2158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803   -2.9456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700   -2.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$
270
  Mrv2314 01052423262D          

 26 28  0  0  0  0            999 V2000
    4.9186    1.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7471    2.1394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2991    2.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8866    3.4670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0796    3.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4665    3.8475    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6819    3.5926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    4.6545    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1116    1.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0901    0.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7256    1.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1196    2.6663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
  5 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
 10 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
$$$$
271
  Mrv2314 01052423262D          

 31 32  0  0  0  0            999 V2000
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6177    0.5535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108    1.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5563    1.4544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622    0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
  9 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$
272
  Mrv2314 01052423262D          

 24 25  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  7  4  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$
273
  Mrv2314 01052423262D          

 47 49  0  0  0  0            999 V2000
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
  4 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  3 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 14 39  1  0  0  0  0
 17 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  END
$$$$
274
  Mrv2314 01052423262D          

 76 79  0  0  0  0            999 V2000
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716    1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8335    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8192    3.8202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148    4.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3468    4.2147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639   -2.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
  4 36  1  0  0  0  0
 31 36  4  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2 40  1  0  0  0  0
  2 41  1  0  0  0  0
  3 42  1  4  0  0  0
  5 43  1  0  0  0  0
  6 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 62  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 32 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 76  1  0  0  0  0
M  CHG  1   3   1
M  END
$$$$
275
  Mrv2314 01052423262D          

 69 73  0  0  0  0            999 V2000
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9606   -2.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126   -3.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -3.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507   -4.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8097   -4.6024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5547   -5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068   -6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518   -6.7847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481   -7.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3742   -8.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6857   -8.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010   -8.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6112   -7.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343   -6.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.0091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534    1.5387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    0.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -1.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0426   -2.6655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -1.8257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358   -3.2594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -4.9454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.7192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566   -5.1781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -5.9025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049   -6.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509   -5.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698   -7.4288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183   -6.7585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287   -8.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1959   -8.2505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307   -9.4156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1402   -9.3195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1287   -8.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461   -9.1607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -7.1805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1612   -7.8936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236   -6.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3261   -6.4723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1366   -2.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3851   -1.8583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157    0.8028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 22 28  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 32 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  7 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
 35 69  1  0  0  0  0
M  END
$$$$
276
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -5.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$
277
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
   -1.2415   -0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    2.1896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2415   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895    0.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8546    0.4061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936   -0.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.6021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391    3.3165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    3.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    1.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9937   -1.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2390   -2.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4873   -1.5844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$
278
  Mrv2314 01052423262D          

 39 39  0  0  0  0            999 V2000
    1.7309   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -3.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -5.0309    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9684   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -5.7454    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8559   -6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684   -7.1743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -6.8724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -6.0474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -3.6020    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6809   -3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -2.8875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.4586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4541   -3.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -3.7111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577   -2.4342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164   -2.0639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7210   -1.5286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0241   -1.3683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638   -1.8127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809   -5.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -6.4599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
 10 38  1  0  0  0  0
 12 39  1  0  0  0  0
M  CHG  4  14   1  16  -1  21   1  23  -1
M  END
$$$$
279
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$
280
  Mrv2314 01052423262D          

 39 40  0  0  0  0            999 V2000
   -3.0985   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3840   -2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6696   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551   -2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2406   -2.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738   -2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738   -3.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883   -2.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7225   -0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9775   -0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844    0.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3365   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815   -1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940   -2.0257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420   -2.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135   -3.4457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8981   -3.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112   -3.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0697   -4.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8543   -4.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860   -1.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8130   -1.8907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5110   -3.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7543   -3.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -3.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -1.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0398   -1.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3254   -3.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5848   -3.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2406   -1.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0845   -1.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4254    0.5281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394    0.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1434   -0.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004   -3.9978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5993   -5.5472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6389   -5.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1092   -3.9780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
  8 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 17 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$
281
  Mrv2314 01052423262D          

 46 47  0  0  0  0            999 V2000
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3455   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0860   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  4 32  1  0  0  0  0
  9 33  1  0  0  0  0
 12 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$
282
  Mrv2314 01052423262D          

 47 47  0  0  0  0            999 V2000
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9403    6.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    5.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5600    5.6041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9314    5.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    6.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    6.8739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8988    7.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5071    7.5149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5286    6.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    4.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    4.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    3.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    2.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$
283
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2773   -1.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1100   -1.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969    0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834    1.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$
284
  Mrv2314 01052423262D          

 30 33  0  0  0  0            999 V2000
    2.7622   -2.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3023   -2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825   -1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424   -1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0323   -1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627   -0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2728   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8129   -1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230   -1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631   -1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8931   -2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0829   -2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   -2.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7327   -2.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926   -1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9521   -2.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0323   -3.6216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525   -3.3098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4922   -0.8152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926    0.4321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   -0.0357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8931   -0.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9732   -1.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4332   -3.3098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8129   -3.6216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627   -3.1539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
  9 18  4  0  0  0  0
  4 18  4  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$
285
  Mrv2314 01052423262D          

 12 12  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$
286
  Mrv2314 01052423262D          

 32 36  0  0  0  0            999 V2000
    4.6142    2.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7768    1.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1577    0.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    1.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568    0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    0.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469   -0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9568   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758   -0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491    0.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1723    0.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3060    2.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154    2.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    1.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8124    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    2.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2133    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324    2.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2333    2.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5586    1.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203    0.0143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280   -0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477   -1.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3702   -0.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162    0.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4712    1.4776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835    2.9775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592    3.1318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689    2.9679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698    3.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
  6 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
  4 19  4  0  0  0  0
 19 20  4  0  0  0  0
  1 20  4  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 18 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$
287
  Mrv2314 01052423262D          

 32 36  0  0  0  0            999 V2000
    6.7342    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6540    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0337   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8439   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1941   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4936   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9535    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8734    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2236    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0337    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5443    0.1007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042    1.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839    1.9716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139   -1.6143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637   -2.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.7702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033    1.9716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231    0.7243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632   -0.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9535    2.4393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738    2.1275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  4  0  0  0  0
  1 10  4  0  0  0  0
  7 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  6 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 15 19  4  0  0  0  0
 19 20  4  0  0  0  0
  5 20  4  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$
288
  Mrv2314 01052423262D          

 23 23  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$
289
  Mrv2314 01052423262D          

 24 25  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$
290
  Mrv2314 01052423262D          

 46 48  0  0  0  0            999 V2000
    4.2584    1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9728    1.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9728    2.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6873    1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4018    1.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1162    1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8307    1.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5452    1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2989    1.4548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8509    0.8418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4384    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6933   -0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1413   -1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3343   -1.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0794   -0.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314    0.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6714    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1563    0.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9768    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1261   -1.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3057   -1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8207   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459    1.8338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5439    0.7068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6709    0.4048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7978    2.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9728    3.1818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1478    2.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3170    0.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    0.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7720    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0315    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7460    0.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4865    0.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5003   -0.8289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962   -2.0551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7823   -1.7120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3593   -0.7168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3095    1.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    1.7521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3123    1.1005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2822   -0.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6111   -1.7418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881   -1.9771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1354   -0.0338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  8 16  4  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
$$$$
291
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$
292
  Mrv2314 01052423262D          

 43 44  0  0  0  0            999 V2000
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632   -7.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8335   -8.1143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$
293
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$
294
  Mrv2314 01052423262D          

 54 54  0  0  0  0            999 V2000
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.8440   -7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -5.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -5.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9179   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6584   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3729   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6323   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3468   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0873   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9507   -8.1325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6408   -7.5286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465   -6.6602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8440   -5.8928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4441   -5.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6256   -5.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -5.8358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2826   -5.3739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9702   -5.4634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8263   -8.2493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
M  CHG  1  11   1
M  END
$$$$
295
  Mrv2314 01052423262D          

 61 63  0  0  0  0            999 V2000
   -2.7792   -4.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -4.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6990   -5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188   -4.2809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -3.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314   -3.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0816   -3.3454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618   -4.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019   -3.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5120   -3.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7821   -4.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420   -5.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4319   -5.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217   -2.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918   -1.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019   -1.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720   -2.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4319   -2.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -4.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -4.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068   -5.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272   -5.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5295   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233   -3.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893   -4.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9351   -5.4029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091   -5.3723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -6.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753   -6.0683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0159   -5.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204   -3.3072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201   -3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0298   -2.8394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699   -3.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614   -3.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951   -2.4816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1409   -2.3749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384   -3.9867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918   -3.5014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420   -3.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2916   -3.5431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5922   -4.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5120   -5.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918   -5.6841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -1.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217   -0.5391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420   -0.8509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7515   -1.9840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618   -2.0982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725   -5.0963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1329   -5.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -6.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -6.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450   -6.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -6.7369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -4.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913   -5.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  9 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  7 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
M  END
$$$$
296
  Mrv2314 01052423262D          

 51 54  0  0  0  0            999 V2000
    6.3569    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2148    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2148    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292    0.6979    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8102    0.4212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1805    1.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2722   -0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0127   -0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4746    2.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043    1.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0127    3.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2722    3.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714    1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4416    3.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7011    3.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6040    0.3057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432   -0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5837   -0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8693    1.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1287    1.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 21 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 20 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$
297
  Mrv2314 01052423262D          

 51 52  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5421   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1296   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -5.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -4.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -4.7836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301   -4.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188   -4.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3652   -5.6968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3729   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6323   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1337   -5.9459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3657   -5.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9123   -4.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6762   -6.7662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5829   -6.7662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 21  1  0  0  0  0
  6 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  END
$$$$
298
  Mrv2314 01052423262D          

 43 44  0  0  0  0            999 V2000
    3.8743   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6052    2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755   -2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6856    0.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  3  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  2 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 16 39  1  0  0  0  0
 18 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 29 43  1  0  0  0  0
M  END
$$$$
299
  Mrv2314 01052423262D          

 42 43  0  0  0  0            999 V2000
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890   -6.7709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -6.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3692   -5.9740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6052   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
$$$$
300
  Mrv2314 01052423262D          

 51 53  0  0  1  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2704   -5.6645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4454   -5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0967   -6.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6235   -5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -7.7270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.0289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -6.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -7.3145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610   -4.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8537   -5.0811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047   -6.6430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1327   -7.2364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059   -6.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1839   -4.8945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7988   -5.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202   -6.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 16  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 18 43  1  1  0  0  0
 19 44  1  1  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
M  END
$$$$
301
  Mrv2314 01052423262D          

 33 35  0  0  0  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
 10 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$
302
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
303
  Mrv2314 01052423262D          

 28 27  0  0  0  0            999 V2000
    0.4125    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    3.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    2.0610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334    3.4412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6298    1.0214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    1.5943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824    2.4627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406   -0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
$$$$
304
  Mrv2314 01052423262D          

 77 76  0  0  0  0            999 V2000
   11.6605    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0895    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8039    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5184    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5184    8.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2329    8.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2329    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9474    7.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6618    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6618    6.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3763    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0908    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8052    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5197    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2342    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9487    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6631    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3776    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3776    6.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0921    7.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8065    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5210    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5210    8.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    8.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9499    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6644    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3789    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0730    8.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9461    7.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2480    6.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0047    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7453    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4597    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7192    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4337    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1742    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8039    7.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3752    9.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8864    8.9125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4637    8.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0571    8.8307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3938    9.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8626    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6031    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7466    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0060    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7205    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4610    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1755    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4350    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1495    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8900    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6044    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8639    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3189    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0334    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2929    8.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4363    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1768    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8065    7.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3777    9.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8890    8.9125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4663    8.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0597    8.8307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3964    9.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8652    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6057    6.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4386    8.2219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9499    6.7322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8077    6.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2964    6.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1601    7.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8222    8.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8084    8.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 29 75  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
M  END
$$$$
305
  Mrv2314 01052423262D          

 68 67  0  0  0  0            999 V2000
    8.4711    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1855    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3289    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3289    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    4.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7579    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724    6.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1868    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9013    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6158    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3302    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0447    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0447    4.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7592    6.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1881    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1881    6.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    7.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6171    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3315    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0460    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0586    6.4302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7566    5.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8836    5.0013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5558    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5297    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2703    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9847    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2442    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    5.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6970    4.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1857    4.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2044    3.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8676    4.4423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2743    5.2703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4137    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6732    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5571    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2716    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5310    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2455    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9860    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7005    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9600    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1034    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8439    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737    6.5408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0449    7.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5561    7.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1335    6.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7268    7.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0635    8.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5323    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2729    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1058    6.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6171    5.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4748    4.9033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9635    5.1855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8272    5.8631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4893    6.8241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4755    6.7242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
M  END
$$$$
306
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$
307
  Mrv2314 01052423262D          

 24 23  0  0  0  0            999 V2000
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
308
  Mrv2314 01052423262D          

 39 40  0  0  0  0            999 V2000
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
  3 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$
309
  Mrv2314 01052423262D          

 54 54  0  0  0  0            999 V2000
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444   -3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444   -1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391   -0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682    0.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682    0.6947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2430    0.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148    2.0906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148    3.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END
$$$$
310
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$
311
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -3.4914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -2.3645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -0.6336    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.9355    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157   -4.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6456   -2.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132   -0.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  3 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
$$$$
312
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
   -0.5230   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    0.2582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410   -0.4153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9814   -1.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -2.0069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1617   -2.0163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725   -2.7645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$
313
  Mrv2314 01052423262D          

 48 50  0  0  0  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2552  -11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -11.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6052  -11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3974  -11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -11.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474  -11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  4 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 20 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 31 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
M  CHG  1  29  -1
M  END
$$$$
314
  Mrv2314 01052423262D          

 53 54  0  0  1  0            999 V2000
    3.5724   -6.1875    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154   -4.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154   -5.7469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5394   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1691   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -3.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  1  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
 10 40  1  1  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END
$$$$
315
  Mrv2314 01052423262D          

 35 37  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 18 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
$$$$
316
  Mrv2314 01052423262D          

 68 71  0  0  0  0            999 V2000
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -3.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939   -4.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -4.4747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -4.4747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -4.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -3.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864   -5.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -6.4772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575   -5.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876  -11.4622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281  -11.4622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -9.5753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -9.5753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868  -11.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -11.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -12.7875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -11.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 16 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  4 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 52  1  0  0  0  0
 14 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
 36 65  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
M  END
$$$$
317
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
 10 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$
318
  Mrv2314 01052423262D          

 83 89  0  0  1  0            999 V2000
    8.0904    5.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    4.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8178    4.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890    4.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    3.3207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1164    2.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8265    3.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250    2.0908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7438    1.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4162    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5949    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4149    1.6708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6961    2.0758    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6875    2.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9002    3.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6371    3.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9142    1.8127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6994    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9937    2.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6821    3.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -1.0396    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6185    1.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9154    5.3992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0818    6.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2655    5.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8092    4.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5960    3.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5901    4.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    3.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9284    4.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5649    4.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6789    3.7257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5392    1.3261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3702    2.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536   -0.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1204    0.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8226    0.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4037    0.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4062    2.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4051    3.2998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7614    3.2367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    2.4233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    4.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2547    4.4029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899    3.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1367   -0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254   -0.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6053    2.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6209    3.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701    2.7575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8196    1.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4855   -1.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439   -1.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338   -1.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9359    0.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 30 38  4  0  0  0  0
 33 38  4  0  0  0  0
 37 39  1  0  0  0  0
 28 39  1  0  0  0  0
 39 40  2  0  0  0  0
 25 40  1  0  0  0  0
 31 41  1  0  0  0  0
 27 42  1  0  0  0  0
 13 43  1  1  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2 47  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  4 51  1  0  0  0  0
  4 52  1  0  0  0  0
  5 53  1  6  0  0  0
  9 54  1  0  0  0  0
  9 55  1  0  0  0  0
 10 56  1  0  0  0  0
 10 57  1  0  0  0  0
 11 58  1  0  0  0  0
 11 59  1  0  0  0  0
 12 60  1  6  0  0  0
 19 61  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 21 67  1  0  0  0  0
 22 68  1  0  0  0  0
 25 69  1  6  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 28 72  1  1  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 32 75  1  0  0  0  0
 34 76  1  0  0  0  0
 35 77  1  0  0  0  0
 36 78  1  0  0  0  0
 40 79  1  0  0  0  0
 42 80  1  0  0  0  0
 42 81  1  0  0  0  0
 42 82  1  0  0  0  0
 43 83  1  0  0  0  0
M  END
$$$$
319
  Mrv2314 01052423262D          

 83 89  0  0  1  0            999 V2000
    8.0904    5.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    4.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8178    4.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890    4.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    3.3207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1164    2.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8265    3.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250    2.0908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7438    1.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4162    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5949    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4149    1.6708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6961    2.0758    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6875    2.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9002    3.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6371    3.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9142    1.8127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6994    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9937    2.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6821    3.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -1.0396    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6185    1.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9154    5.3992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0818    6.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2655    5.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8092    4.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5960    3.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5901    4.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    3.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9284    4.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5649    4.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6789    3.7257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5392    1.3261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3702    2.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536   -0.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1204    0.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8226    0.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4037    0.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4062    2.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4051    3.2998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7614    3.2367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    2.4233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    4.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2547    4.4029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899    3.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1367   -0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254   -0.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6053    2.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6209    3.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701    2.7575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8196    1.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4855   -1.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439   -1.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338   -1.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9359    0.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 30 38  4  0  0  0  0
 33 38  4  0  0  0  0
 37 39  1  0  0  0  0
 28 39  1  0  0  0  0
 39 40  2  0  0  0  0
 25 40  1  0  0  0  0
 31 41  1  0  0  0  0
 27 42  1  0  0  0  0
 13 43  1  1  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2 47  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  4 51  1  0  0  0  0
  4 52  1  0  0  0  0
  5 53  1  6  0  0  0
  9 54  1  0  0  0  0
  9 55  1  0  0  0  0
 10 56  1  0  0  0  0
 10 57  1  0  0  0  0
 11 58  1  0  0  0  0
 11 59  1  0  0  0  0
 12 60  1  6  0  0  0
 19 61  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 21 67  1  0  0  0  0
 22 68  1  0  0  0  0
 25 69  1  6  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 28 72  1  1  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 32 75  1  0  0  0  0
 34 76  1  0  0  0  0
 35 77  1  0  0  0  0
 36 78  1  0  0  0  0
 40 79  1  0  0  0  0
 42 80  1  0  0  0  0
 42 81  1  0  0  0  0
 42 82  1  0  0  0  0
 43 83  1  0  0  0  0
M  END
$$$$
320
  Mrv2314 01052423262D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
$$$$
321
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  3  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$
322
  Mrv2314 01052423262D          

 42 43  0  0  0  0            999 V2000
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8946   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4656   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5809    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -1.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2248   -1.0772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3396   -1.0772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071   -1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8781   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -0.1017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081    0.1929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.4963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -2.2142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865   -1.7680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6484   -0.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 12 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
$$$$
323
  Mrv2314 01052423262D          

 49 50  0  0  0  0            999 V2000
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712    0.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    0.2195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 13 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
$$$$
324
  Mrv2314 01052423262D          

 75 81  0  0  1  0            999 V2000
    7.0354    0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3261    0.1863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5540   -0.1043    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4011   -1.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6306   -1.5457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6335   -0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9780   -0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8174    0.4972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0990   -0.0821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9519   -1.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2658   -1.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4658   -2.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6454   -2.8739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7282   -2.0150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8712   -2.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   -1.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0166    0.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106   -0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6038   -1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8493    1.1201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4931    0.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0735   -3.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2726   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800   -3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781   -2.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8200    1.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    1.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -0.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8446   -0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3888   -0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9074   -1.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0982    0.4770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8075    1.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7448    1.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8944    0.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3843   -1.8417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -1.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3903   -0.4894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    0.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443    0.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933   -0.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3170   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   -2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083   -2.6148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5038   -3.5868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1084   -3.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -1.2187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1978   -2.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8560   -2.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6193   -0.0388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0067   -1.6656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    1.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9223   -4.2795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337   -4.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886   -4.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6754   -3.6817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3288   -4.3103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3916   -1.9248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877   -2.4618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5215    2.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3936    2.1516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921    1.0237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4717   -1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6572   -1.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1851   -0.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619   -1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -0.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909    0.2689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4901   -2.0696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1754   -2.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6740   -1.6628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6421    1.0973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 10 17  1  1  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
  9 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 27  1  0  0  0  0
  8 28  1  1  0  0  0
 28 29  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
  2 34  1  6  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  3 38  1  6  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  9 45  1  6  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 14 50  1  1  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 72  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 75  1  0  0  0  0
M  END
$$$$
325
  Mrv2314 01052423262D          

 44 45  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -3.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -4.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960   -3.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279   -3.9864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0235   -3.2972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -2.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2196   -1.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9088   -0.9426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  4  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$
326
  Mrv2314 01052423262D          

 59 62  0  0  0  0            999 V2000
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2195    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6320    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4570    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8695    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4570    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6320    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6945    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1070    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9320    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3445    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9320    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1070    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170   -0.1148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617   -0.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617    1.5665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170    0.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444    1.8893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454    1.7783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454   -0.9533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444   -1.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9484    1.9078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752    1.8928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752   -1.0678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9484   -1.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7925   -0.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4338   -0.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091    1.9506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4678    1.5803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0300    0.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6713    0.6736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3466    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    2.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841    3.3795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    3.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1463    3.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5050    3.3795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5050    0.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1463    0.6736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    0.6736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841    0.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3445    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1695    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3445    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 59  1  0  0  0  0
M  END
$$$$
327
  Mrv2314 01052423262D          

 28 27  0  0  0  0            999 V2000
   -1.3184   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506   -3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2197   -3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573   -1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275   -2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9341   -2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188    0.7108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3999    0.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8247    0.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$
328
  Mrv2314 01052423262D          

 47 47  0  0  0  0            999 V2000
    0.9059   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -5.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -5.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684   -5.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934   -5.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -2.9980    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934   -2.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -4.1658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704   -4.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8327   -3.2592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1914   -2.8889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666   -4.8803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -5.2506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -5.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934   -6.5704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684   -7.9993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -7.9993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1041   -7.0237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454   -7.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5684   -5.9992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506   -6.4879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -5.8559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -5.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799   -5.9383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -5.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6768   -4.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881   -3.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059   -3.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END
$$$$
329
  Mrv2314 01052423262D          

 40 40  0  0  0  0            999 V2000
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9312    3.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258    2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5366    1.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025    0.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084    0.5126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4907    0.4434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4855   -0.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003    3.7725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4949    4.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1943    5.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    2.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301    3.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
$$$$
330
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
    0.2182    4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935    3.7698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004    4.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570    4.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    3.5133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7257    2.7841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8150    3.3924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461    2.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911    1.5873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2283    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    1.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351    2.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7666    2.4599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549    3.2190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    1.9689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  8 25  1  0  0  0  0
 11 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$
331
  Mrv2314 01052423262D          

 42 42  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1994    1.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842    1.4305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980    1.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819    2.5474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  8 32  1  0  0  0  0
 10 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  CHG  4  12   1  14  -1  19   1  21  -1
M  END
$$$$
332
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$
333
  Mrv2314 01052423262D          

 37 36  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607   -0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020   -0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    1.0587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    1.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    2.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115    3.6548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357   -0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770   -0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    0.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1672    0.8963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5185    1.5246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632   -0.9189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3437   -1.5393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1516   -0.9551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
M  END
$$$$
334
  Mrv2314 01052423262D          

 28 28  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$
335
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$
336
  Mrv2314 01052423262D          

 39 41  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
$$$$
337
  Mrv2314 01052423262D          

 63 67  0  0  0  0            999 V2000
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -4.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8440   -3.4105    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 10 19  4  0  0  0  0
 16 20  1  0  0  0  0
 21 15  1  4  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 29 26  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 31 36  4  0  0  0  0
 34 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
 14 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2 46  1  0  0  0  0
  3 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6 49  1  0  0  0  0
  9 50  1  0  0  0  0
 11 51  1  0  0  0  0
 13 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  CHG  2  40  -1  44  -1
M  END
$$$$
338
  Mrv2314 01052423262D          

 34 35  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403   -1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$
339
  Mrv2314 01052423262D          

 34 35  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403   -1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$
340
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
   -0.1105   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -1.7901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -1.7901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.3612    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    1.0677    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.8230    1.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    1.7822    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9980   -1.7901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7624   -6.1861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037   -5.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412   -4.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -3.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752   -5.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3165   -6.1861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -4.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -3.2191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -3.2191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230   -0.3612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480    1.0677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  3  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 14 11  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 18 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  CHG  2  23   1  25  -1
M  END
$$$$
341
  Mrv2314 01052423262D          

 37 39  0  0  0  0            999 V2000
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  8  5  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 10 19  4  0  0  0  0
 11 20  1  0  0  0  0
  4 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$
342
  Mrv2314 01052423262D          

 63 67  0  0  0  0            999 V2000
   -0.1530   -3.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -2.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033   -2.7738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -3.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3085   -3.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3391   -2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596   -1.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4953   -1.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0106   -0.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543   -1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1669    0.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6516   -0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3159   -1.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4721   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8079    0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3232    1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5027    1.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284    0.5845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131   -0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337    0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9642    1.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7847    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1623   -0.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598    1.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    2.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6016    1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9066   -3.2776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888   -4.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6006   -3.9492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -2.0457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.4808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498   -3.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262   -4.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945   -4.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290   -3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225   -2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9744   -2.0635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779   -0.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1956   -1.8493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569   -0.9227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6590    1.9197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345    1.9023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4749   -0.6058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1513   -0.9072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0196   -0.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542    0.0889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8477    0.8234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8306    2.1522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314    1.7171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5757    1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3041    2.0651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3912    2.1492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -0.4801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994    0.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050    1.9819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
  8 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 13 19  4  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 12 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  7 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 46  1  0  0  0  0
 16 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 63  1  0  0  0  0
M  END
$$$$
343
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  7  4  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$
344
  Mrv2314 01052423262D          

 31 33  0  0  0  0            999 V2000
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  7  4  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  9 18  4  0  0  0  0
 10 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$
345
  Mrv2314 01052423262D          

 41 43  0  0  0  0            999 V2000
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -5.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -6.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  9 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
$$$$
346
  Mrv2314 01052423262D          

 24 25  0  0  0  0            999 V2000
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.0091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534    1.5387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    0.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1806   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -0.5874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    0.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$
347
  Mrv2314 01052423262D          

 78 81  0  0  1  0            999 V2000
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0433   -3.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578   -3.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5863   -4.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7658   -4.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9453   -3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2809   -2.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1248   -3.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6399   -2.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194   -2.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345   -1.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701   -1.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4905   -1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9755   -1.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1851   -0.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    0.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647   -0.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0727   -6.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5577   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0727   -5.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5725   -3.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0838   -3.5947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3524   -2.3955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5820   -2.4765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5808   -3.6305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2657   -2.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411   -4.9906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4108   -4.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9412   -4.4912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1783   -3.7517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297   -3.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4604   -2.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9974   -2.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4534   -3.2894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8519   -1.2136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135   -1.9633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0056   -0.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2836   -0.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519   -0.3588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7914   -1.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -1.7964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104   -0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2204   -4.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9295   -7.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6662   -7.0155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2861   -6.1623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2861   -5.3877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6662   -4.5345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9295   -4.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  7 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  4  0  0  0  0
 36 37  4  0  0  0  0
 29 37  4  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7 47  1  1  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 62  1  0  0  0  0
 19 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 25 69  1  0  0  0  0
 30 70  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 34 73  1  0  0  0  0
 34 74  1  0  0  0  0
 35 75  1  0  0  0  0
 35 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 78  1  0  0  0  0
M  END
$$$$
348
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.8566    1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -1.1874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -0.4441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    2.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578    1.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285   -0.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.3845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0861   -1.1874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8746    0.3845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7153   -0.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    1.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910    1.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$
349
  Mrv2314 01052423262D          

 29 29  0  0  1  0            999 V2000
    2.4614   -0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329    0.3323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4175    0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306    0.0352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913    1.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6544   -0.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2899   -1.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2684   -0.6462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -0.2198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9330    1.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    1.3853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376   -0.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5174   -0.8382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860   -0.9215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693   -0.1821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.7291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728    1.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121    0.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    1.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862    3.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  6  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  6  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$
350
  Mrv2314 01052423262D          

 46 48  0  0  1  0            999 V2000
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793    0.4937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    0.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898   -1.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   -1.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7907   -0.3239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 12 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  5 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 12 33  1  1  0  0  0
 13 34  1  6  0  0  0
 14 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
$$$$
351
  Mrv2314 01052423262D          

 30 32  0  0  0  0            999 V2000
    6.1237    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401    1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    1.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    2.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    2.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    2.9328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120    0.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448    2.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682    2.7028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -0.5145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741   -0.8553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.8553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -0.5145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    0.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    2.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392    2.7028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    3.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421    3.6812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$
352
  Mrv2314 01052423262D          

 50 52  0  0  0  0            999 V2000
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716    1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1117    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7415    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2272    0.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7159    0.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003   -0.6574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5222   -0.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0388   -1.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6882   -2.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3046   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1296   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 13 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 16 42  1  0  0  0  0
 18 43  1  0  0  0  0
 21 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END
$$$$
353
  Mrv2314 01052423262D          

 23 24  0  0  0  0            999 V2000
   -1.8212   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5357   -1.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337   -2.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067   -2.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  4  0  0  0  0
  6 14  4  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  5 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$
354
  Mrv2314 01052423262D          

 31 32  0  0  0  0            999 V2000
   -1.2415   -0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    2.1896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2415   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895    0.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8546    0.4061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936   -0.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370   -1.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -2.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.6021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391    3.3165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    3.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    1.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -1.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8518   -1.8051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240   -2.0708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$
355
  Mrv2314 01052423262D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
$$$$
356
  Mrv2314 01052423262D          

 58 59  0  0  0  0            999 V2000
   -1.6203   -3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -2.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401   -3.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -4.0145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -4.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -5.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -5.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -3.8586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -4.4823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604   -5.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -3.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7806   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -4.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6709   -3.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2110   -4.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9410   -5.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1308   -5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0288   -6.2364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7758   -6.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3396   -5.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5140   -7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3094   -7.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7762   -2.2689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4304   -3.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4644   -3.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190   -2.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9187   -2.1053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612   -4.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1615   -4.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1313   -2.8155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4315   -2.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129   -5.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5727   -5.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8246   -4.9235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401   -5.5736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4006   -6.5442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535   -6.4375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0391   -5.0615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -5.6497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971   -6.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -5.9101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -5.9892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -5.1967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -3.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9410   -3.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0212   -4.3264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145   -6.4586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1104   -5.6899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8273   -6.9116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932   -7.9121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8762   -8.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2481   -8.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -7.4898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7773   -6.5363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  END
$$$$
357
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403   -5.5760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$
358
  Mrv2314 01052423262D          

 36 36  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    2.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0123    3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213    3.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9184    1.8087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5419    1.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$
359
  Mrv2314 01052423262D          

 55 58  0  0  1  0            999 V2000
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5847   -1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0011    0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4899    0.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3041   -0.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  2  0  0  0  0
 15 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 14 21  4  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 26 33  1  0  0  0  0
 25 34  1  0  0  0  0
 18 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  5 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  6  0  0  0
 25 45  1  1  0  0  0
 26 46  1  6  0  0  0
 27 47  1  1  0  0  0
 28 48  1  6  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 34 54  1  0  0  0  0
 35 55  1  0  0  0  0
M  END
$$$$
360
  Mrv2314 01052423262D          

 56 59  0  0  0  0            999 V2000
   -7.1935   -5.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4790   -4.7818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4790   -3.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1935   -3.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1935   -2.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4790   -2.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7646   -2.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7646   -3.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0501   -3.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3356   -3.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6211   -3.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067   -3.5443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1922   -3.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4777   -3.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633   -3.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488   -3.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -3.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -4.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802   -5.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0946   -4.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0946   -3.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802   -3.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668   -2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4023   -1.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228   -1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7077   -1.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3722   -2.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7077   -3.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4777   -2.7193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6060   -4.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9080   -5.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7810   -5.9088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9080   -3.9568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9080   -2.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4790   -1.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0501   -2.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9654   -2.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7059   -2.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9914   -4.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2509   -4.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067   -2.7193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -4.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219   -4.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4777   -4.3693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200   -4.7693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313   -4.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -5.5286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802   -6.0193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -5.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463   -2.1561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174   -0.6488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5584   -0.4763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282   -1.8112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5147   -3.5763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633   -2.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 28 29  4  0  0  0  0
 21 29  4  0  0  0  0
 14 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
$$$$
361
  Mrv2314 01052423262D          

 71 75  0  0  1  0            999 V2000
   -7.3763   -2.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7929   -1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9960   -1.6584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4127   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6158   -1.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4023   -2.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9856   -2.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7721   -3.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7825   -2.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3659   -3.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6054   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3919   -3.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0220   -1.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251   -1.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0116   -2.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147   -2.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0012   -3.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5846   -4.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814   -4.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -3.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710   -5.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6418   -1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8553   -0.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449   -1.5593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615   -0.9760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5635   -0.9760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5635   -0.1510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    0.4324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780   -1.3885    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    1.0865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214    1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076    2.3195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3146    2.4910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7271    1.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    1.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3466    0.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    1.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924    1.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5635    1.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9597   -1.4449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9597   -2.6116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7929   -2.6116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6261   -0.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3414   -0.8286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2459   -0.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9611   -0.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8327   -1.0291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3563   -0.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2355   -0.9188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085   -2.5125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314   -2.3562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -3.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9648   -4.6897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981   -3.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9544   -5.7001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282   -2.1427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0237   -0.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458   -1.6653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8160   -1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1602   -0.4278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5305    0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1744   -0.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0303   -0.1052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0307    0.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5635    2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 26 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 36 40  4  0  0  0  0
 40 41  1  0  0  0  0
 30 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2 48  1  0  0  0  0
  2 49  1  0  0  0  0
  4 50  1  0  0  0  0
  4 51  1  0  0  0  0
  5 52  1  0  0  0  0
  5 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 55  1  6  0  0  0
 16 56  1  0  0  0  0
 17 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 62  1  1  0  0  0
 26 63  1  1  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 41 68  1  0  0  0  0
 41 69  1  0  0  0  0
 41 70  1  0  0  0  0
 44 71  1  0  0  0  0
M  END
$$$$
362
  Mrv2314 01052423262D          

 67 68  0  0  1  0            999 V2000
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123    1.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321    2.6885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4179    4.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7982    3.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3033    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7982    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3033   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224    1.1560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1802    1.0411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465    0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
  5 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 25 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  1  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  1  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
 33 67  1  0  0  0  0
M  END
$$$$
363
  Mrv2314 01052423262D          

 52 54  0  0  0  0            999 V2000
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -4.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815   -4.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -5.2747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -5.2747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -2.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -3.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.1503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.1503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.1503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.1503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -4.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -4.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168   -6.0199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819   -2.4953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 14 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END
$$$$
364
  Mrv2314 01052423262D          

 32 32  0  0  1  0            999 V2000
    0.1914   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336    0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.9355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -2.3645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -0.9355    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8711   -0.2211    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2836   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    0.4934    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    1.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    1.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -2.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -2.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 17  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  7 25  1  6  0  0  0
  8 26  1  1  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 14 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  CHG  2  18   1  20  -1
M  END
$$$$
365
  Mrv2314 01052423262D          

 35 37  0  0  0  0            999 V2000
    4.6488    3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    2.4825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    1.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938    1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    0.3508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    1.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    2.0210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    0.2691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -0.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527   -1.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691   -2.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808   -2.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596   -0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502   -0.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4168    3.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3474    4.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8808    2.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371    0.7362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371    1.4521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -0.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    1.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    2.7441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410   -0.9550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739   -2.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972   -3.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876   -1.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225   -0.0715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486   -0.0863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
  3 13  1  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  5 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  8 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$
366
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
    0.4125    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.0164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    3.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622    3.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0775    1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073    2.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    0.1758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    0.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4396    0.7361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6469   -0.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$
367
  Mrv2314 01052423262D          

 64 65  0  0  0  0            999 V2000
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1790   -7.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5492   -8.1143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7706   -7.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3219   -8.2106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  4  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 26 29  1  0  0  0  0
 21 30  1  0  0  0  0
 19 31  1  0  0  0  0
 10 32  1  0  0  0  0
  8 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5 38  1  0  0  0  0
  7 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 22 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
M  END
$$$$
368
  Mrv2314 01052423262D          

 23 24  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
 12 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$
369
  Mrv2314 01052423262D          

 12 12  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$
370
  Mrv2314 01052423262D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
$$$$
371
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  4 16  1  0  0  0  0
  7 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$
372
  Mrv2314 01052423262D          

 42 45  0  0  0  0            999 V2000
    0.6538   -3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0663   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837   -1.4124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0663   -4.2703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -4.2703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -2.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569   -1.4036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501   -3.0987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337   -2.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3607   -2.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    0.0371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  2  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 17 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$
373
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  3  0  0  0  0
  4 14  1  0  0  0  0
M  END
$$$$
374
  Mrv2314 01052423262D          

 48 50  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -8.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -7.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$
375
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    0.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$
376
  Mrv2314 01052423262D          

 40 42  0  0  0  0            999 V2000
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023    3.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
  7 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$
377
  Mrv2314 01052423262D          

 40 42  0  0  0  0            999 V2000
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023    3.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
  7 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$
378
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311   -4.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114   -3.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 10 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$
379
  Mrv2314 01052423262D          

 39 41  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085   -0.9723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
  7 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$
380
  Mrv2314 01052423262D          

 29 29  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    3.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    4.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$
381
  Mrv2314 01052423262D          

 23 23  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 10 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$
382
  Mrv2314 01052423262D          

 24 24  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 17  1  0  0  0  0
  6 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$
383
  Mrv2314 01052423262D          

 29 31  0  0  0  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  8 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
$$$$
384
  Mrv2314 01052423262D          

 33 33  0  0  0  0            999 V2000
   -2.3071    0.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1356   -0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -1.7179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2751   -1.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6876   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -0.8974    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -0.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -2.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194   -0.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194    1.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001    0.4166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4786    1.0521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141    0.0736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107   -2.6431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5081   -1.0887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972    0.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377    0.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1318    0.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3912    0.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1057   -1.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -1.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904    0.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803   -2.2909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0086   -2.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8548   -2.6241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339   -0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  4  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$
385
  Mrv2314 01052423262D          

 46 48  0  0  1  0            999 V2000
   -1.9799    0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6944    2.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6944    3.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654    3.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654    2.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    0.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635    0.5418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1635   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -0.6957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5925   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    0.9543    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6717    0.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635   -1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8049    0.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    0.1293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549    0.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088    1.7793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088    3.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    4.2543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    3.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727    1.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    2.4686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635    1.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601   -0.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898   -0.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -0.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   -0.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    0.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458    1.2311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6338    1.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840    2.3391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080    2.5589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -1.1082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0091   -2.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0050   -2.6477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -1.7197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490   -1.2188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510   -2.3457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5760   -2.6477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  1  0  0  0
 12 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 10 30  1  6  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$
386
  Mrv2314 01052423262D          

 42 45  0  0  0  0            999 V2000
    1.8414   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2117   -3.9267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650   -3.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928   -3.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6462   -3.9267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -2.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5394   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1691   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  4 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 11 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  5 30  1  0  0  0  0
 10 31  1  0  0  0  0
 13 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$
387
  Mrv2314 01052423262D          

 51 54  0  0  0  0            999 V2000
    5.9723   -2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9723   -3.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6397   -4.2386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848   -5.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5598   -5.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3049   -4.2386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202   -3.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071   -4.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1225   -4.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -3.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641   -2.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3487   -3.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1664   -3.2189    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5533   -3.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248   -4.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1117   -5.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1556   -4.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687   -3.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291   -3.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536   -3.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8907   -3.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -2.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789   -2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417   -3.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439   -4.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088   -4.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938   -5.1380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7973   -2.9287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9723   -2.1037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1473   -2.9287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8697   -5.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749   -5.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0787   -5.3427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5094   -4.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926   -2.1148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3541   -2.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -4.0259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832   -5.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -5.6938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5971   -2.7090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1266   -4.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727   -4.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6405   -2.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6146   -3.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0059   -1.9079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6597   -1.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3215   -3.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0662   -3.1134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736   -5.4073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918   -5.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
$$$$
388
  Mrv2314 01052423262D          

 31 33  0  0  1  0            999 V2000
    1.3687   -2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -3.4849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0992   -3.2299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0992   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -4.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -3.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -2.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986   -3.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359   -2.8554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986   -2.0209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -3.5025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3134   -4.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0284   -5.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -5.0787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  6 14  4  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
  3 17  1  1  0  0  0
 17 18  1  0  0  0  0
  2 19  1  6  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  1  0  0  0
  3 23  1  6  0  0  0
  5 24  1  6  0  0  0
  7 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$
389
  Mrv2314 01052423262D          

 34 36  0  0  0  0            999 V2000
    3.4479    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.6577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    1.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358   -1.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502   -1.6575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -1.1960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -1.0941    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -2.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527   -2.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691   -3.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808   -3.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -3.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596   -2.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522    1.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643    2.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436    1.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371   -0.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371    0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746    1.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    0.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410   -2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739   -3.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972   -4.4133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876   -3.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225   -1.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$
390
  Mrv2314 01052423262D          

 37 38  0  0  1  0            999 V2000
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -4.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -4.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -7.3969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  1  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 19 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$
391
  Mrv2314 01052423262D          

 28 30  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
  4 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  6 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$
392
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525    4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$
393
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
    2.5887   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -5.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275   -5.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425   -4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932   -3.4086    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4847   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018   -1.2380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1408   -0.0729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756   -0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962   -1.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5568   -1.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060   -3.5273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286   -2.7908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040   -4.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2329   -6.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919   -6.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -4.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4800    0.1390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9295   -0.0757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6638   -0.6036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$
394
  Mrv2314 01052423262D          

 45 47  0  0  0  0            999 V2000
   -0.5463   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -3.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -3.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5971   -3.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260   -3.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077   -2.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289   -1.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172   -1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1008   -2.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974   -3.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3849   -4.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5691   -4.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644   -3.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   -4.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5972   -5.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856   -5.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041   -5.2100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338   -1.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608   -2.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588   -3.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569   -3.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -4.7467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -3.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268   -3.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673   -3.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695   -1.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -0.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5220   -0.9485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8891   -2.5571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119   -4.0556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5654   -3.3417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -5.1733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0994   -4.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630   -4.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -6.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9903   -5.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
  7 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
$$$$
395
  Mrv2314 01052423262D          

 32 34  0  0  0  0            999 V2000
    3.7279    1.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700    1.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843    0.5558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656    1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    2.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    2.7691    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9373    2.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    3.5941    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5656    2.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700    2.6874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821    3.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937    3.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101    4.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8032    5.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9868    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    3.9933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4712    1.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4712    2.3021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821    0.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    3.5941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    1.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    0.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567    3.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218    4.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313    6.0883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    5.6019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
  1 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  4 25  1  0  0  0  0
  7 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
$$$$
396
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$
397
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$
398
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$
399
  Mrv2314 01052423262D          

 23 23  0  0  0  0            999 V2000
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    3.5893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    4.4143    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7112    4.8268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    4.8268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    3.8913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2658    2.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    4.4143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    1.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291    1.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    1.5268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0464    0.4790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  CHG  2   5   1   7  -1
M  END
$$$$
400
  Mrv2314 01052423262D          

 42 45  0  0  0  0            999 V2000
    2.2413    2.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557    1.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5268    1.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5268    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4163    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3072   -1.2322    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2413   -0.5357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8288   -1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -1.8053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413    3.5893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6702    2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179    1.8425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7646    1.8425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911    3.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -1.1839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    0.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    1.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5913    0.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8913    0.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163    1.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163   -1.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475   -0.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3438   -2.4727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8350   -0.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 21 25  4  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$
401
  Mrv2314 01052423262D          

 42 45  0  0  0  0            999 V2000
    1.9594    3.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173    3.1669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    3.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980    2.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332    1.6803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    1.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526    2.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912    0.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162    0.9370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120    0.2172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -0.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026    4.2682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6014    4.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    3.5522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8612    3.5058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2494    3.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2055    1.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2608    2.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893    1.3414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1011    0.9242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1450    2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    2.1711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448   -1.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025    1.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -1.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -1.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    0.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    0.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  8 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
$$$$
402
  Mrv2314 01052423262D          

 43 47  0  0  1  0            999 V2000
   -1.2926    1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132    0.4469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533   -0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1481   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114   -0.6779    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3741   -0.0735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1278    0.6776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9237    0.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6258    0.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963   -0.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7953   -0.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    0.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    0.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3826   -1.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780   -1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5328   -1.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7075   -1.5154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1167   -1.7604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7429   -1.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4085   -0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024   -2.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7053    1.6136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    1.6214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8799    0.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062   -0.0470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142   -0.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152   -1.3975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -0.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1297    0.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339    1.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3814    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529    1.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8221    0.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827    1.4386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3969   -1.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9734   -0.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9591   -0.3177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347   -2.3399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4845   -2.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496   -1.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578    0.4137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -3.1670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
  5 10  1  6  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 18 17  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
  6 21  1  0  0  0  0
 19 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  6 30  1  6  0  0  0
  7 31  1  1  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 18 39  1  6  0  0  0
 19 40  1  6  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$
403
  Mrv2314 01052423262D          

 54 56  0  0  1  0            999 V2000
   -0.5221    2.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048    2.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463    1.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827    2.5882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5096    2.0518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2648    2.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953    2.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510    1.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621    1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2368    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7005   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8894   -0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7902    0.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5790   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -0.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8600    0.8671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984    1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5691   -0.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3262   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3531   -0.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279   -1.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752   -1.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5842    0.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0142    3.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490    3.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0584    2.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337    3.3992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    1.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6481    3.1145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9327    3.1391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8054    2.1563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3787    2.7311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4984    1.6663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2059   -0.7419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7953   -1.3622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060    0.5276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985    0.4387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539   -1.0755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168   -1.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0916   -2.2461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -2.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8446   -2.4886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2114   -2.0598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1642   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    0.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1205    1.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9573    1.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
  5 21  1  0  0  0  0
 14 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  6  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  9 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 20 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
$$$$
404
  Mrv2314 01052423262D          

 55 58  0  0  1  0            999 V2000
    4.5466   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    0.2673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3587   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0148    0.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7345   -0.6539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9224   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -0.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6708    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0195    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -0.1416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0596   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705   -1.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2424   -0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640   -1.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -1.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -1.3208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0784   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3225   -0.7889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9683   -0.9193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7297   -0.8251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796   -0.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1996    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1741    2.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776    2.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.4298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718   -1.4135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099   -1.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.4085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    1.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    1.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7557    0.0139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0806    0.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757   -0.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3752   -2.1488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2796   -0.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181   -1.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9484   -1.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043   -2.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  1  0  0  0
 13 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  7 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  1  0  0  0
 12 39  1  6  0  0  0
 13 40  1  6  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 43  1  6  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  6  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
M  END
$$$$
405
  Mrv2314 01052423262D          

 25 26  0  0  1  0            999 V2000
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445   -3.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968   -3.8419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -2.6896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765   -3.2421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5261   -1.1290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7654   -1.8657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018   -0.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -0.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6419   -4.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390   -2.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  1  6  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  1  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$
406
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
   -4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807    0.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807   -0.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    1.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5288   -0.5447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 12 20  1  0  0  0  0
 17 21  1  0  0  0  0
 16 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
 11 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$
407
  Mrv2314 01052423262D          

 17 18  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  4 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$
408
  Mrv2314 01052423262D          

 50 52  0  0  1  0            999 V2000
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -3.6020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -2.1730    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6914    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3211    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3973    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0270    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  6  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  6  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$
409
  Mrv2314 01052423262D          

 47 49  0  0  0  0            999 V2000
    5.4385   -1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530   -1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530   -2.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4385   -3.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7240   -2.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7240   -1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8995   -1.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5122   -1.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4623   -2.4462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.4174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.0757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6741   -0.3473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4026   -0.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457    0.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0615    0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6243    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0116    1.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8361    1.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2733    1.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2234    2.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4352    3.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2597    3.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6969    2.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3096    1.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4851    1.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5214    2.6816    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -0.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1409   -0.9301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298   -2.0532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9257   -1.4864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0682   -3.7501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8087   -3.7501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004   -2.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2707   -3.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714   -3.2488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505   -1.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8884   -0.3533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998    1.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744    2.5089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0978    1.1672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   -0.2897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980    4.0233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6470    4.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7468    1.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6606    1.8668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$
410
  Mrv2314 01052423262D          

 44 46  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781   -0.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -1.0674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980    0.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980    0.0252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    1.8924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781    1.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
  9 17  4  0  0  0  0
 15 18  1  0  0  0  0
  6 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  5 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
$$$$
411
  Mrv2314 01052423262D          

 52 55  0  0  1  0            999 V2000
    8.5003   -1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003   -2.6021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2148   -3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -2.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2148   -3.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858   -3.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -0.5396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -3.0146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3253   -1.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003   -0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6753   -1.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2148   -2.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003   -4.2521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -3.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -0.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043   -1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4746   -2.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.9103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 26 32  1  0  0  0  0
  9 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  1  0  0  0
  5 38  1  0  0  0  0
  8 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 25 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$
412
  Mrv2314 01052423262D          

 47 48  0  0  0  0            999 V2000
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888   -5.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -6.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127   -5.1635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
  4 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$
413
  Mrv2314 01052423262D          

 29 29  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  3  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$
414
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    1.1557   -2.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682   -3.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432   -3.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946   -3.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -3.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8678   -4.5268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191   -5.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9923   -5.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6437   -6.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1782   -6.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6514   -6.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027   -5.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5269   -7.5177    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8142   -5.8784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0786   -3.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -3.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -2.2837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6091   -1.6996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024   -1.6996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385   -3.8406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918   -3.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6896   -4.4549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1169   -7.3738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4733   -6.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -4.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0459   -1.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  6 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
$$$$
415
  Mrv2314 01052423262D          

 43 44  0  0  1  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433   -5.7625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320   -5.4803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7319   -7.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181   -6.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -4.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609   -4.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041   -2.9853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714   -4.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714   -3.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 11 18  1  0  0  0  0
  9 19  1  0  0  0  0
  4 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  6  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  1  0  0  0
  7 28  1  1  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  6  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 15 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$
416
  Mrv2314 01052423262D          

 71 76  0  0  1  0            999 V2000
    8.1324    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5532    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7548    1.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1756    0.6203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3948   -0.1750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7062   -0.6292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0613   -0.1146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3515    0.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0581   -1.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4706   -0.5530    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6471   -0.6021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1325   -1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0156   -0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1013    0.5358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4133    1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291    1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302    0.2892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3460    0.1660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9834    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6785    0.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738    0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6817    1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    0.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9170    0.6590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6688   -1.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1932   -0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7724    0.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7199    1.0083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7116    2.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5449    2.1667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3516    0.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9159    2.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    1.8202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8745    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9740    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4235   -1.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -1.7366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3527   -1.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3269   -1.5142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.9015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660   -0.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0269   -1.3345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7525   -1.9792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3214   -2.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642   -1.4618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494   -0.5776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0294   -1.0395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024    1.3038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8082    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2502    1.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7151    1.7240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313   -0.4788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    1.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063    1.5144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    1.7035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452    2.0533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8568    1.2481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8328    1.1783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    1.5570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761    1.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6851    0.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7206   -2.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2576   -2.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0120   -0.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4124   -1.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1264   -0.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5226   -0.1387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  2  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  1  0  0  0
 17 27  1  0  0  0  0
  6 28  1  1  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
  2 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  1  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4 37  1  1  0  0  0
  5 38  1  6  0  0  0
  6 39  1  6  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 44  1  6  0  0  0
 12 45  1  1  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  6  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 21 56  1  6  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
M  END
$$$$
417
  Mrv2314 01052423262D          

 29 29  0  0  0  0            999 V2000
    3.2680   -0.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4555   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252    0.4390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    1.2142    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949    1.3575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0198    1.3575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501    0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    2.0392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    3.6892    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9218    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    3.6892    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -0.8525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0255   -0.3765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554   -0.7592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5513   -1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127    0.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3405    0.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2119    1.2181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693    2.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396    1.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3165    3.3247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9462    3.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3752    1.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7455    2.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7400    4.0814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$
418
  Mrv2314 01052423262D          

196196  0  0  1  0            999 V2000
    3.4374    0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3981   -0.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648   -0.7825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9708   -0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100    0.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.3364    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8398   -0.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5731   -0.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8006   -1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218   -1.6849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9646   -2.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7858   -2.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860   -3.1074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -3.6174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0171   -4.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6656   -4.9440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2512   -4.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5210   -5.5203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9808   -6.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2506   -6.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -5.9876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762   -6.7894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1846   -7.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0099   -7.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -6.4525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0096   -7.0218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8012   -6.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982   -7.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -5.9876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8058   -6.1437    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3460   -5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1561   -5.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762   -4.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8421   -4.4340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9595   -3.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7254   -3.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110   -3.1074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896   -2.4354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4468   -1.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254   -1.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256   -1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108   -2.5138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0894   -1.8418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9106   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7466   -1.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2252   -0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465   -0.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1687   -3.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4906   -4.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565   -4.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6313   -5.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3257   -4.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0756   -6.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8857   -7.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259   -6.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1555   -7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496   -5.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8151   -7.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4122   -8.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037   -8.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177   -9.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -5.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5732   -7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3311   -5.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9004   -3.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5489   -3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4315   -4.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3148   -3.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694   -3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004   -1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9216   -1.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063   -0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850    0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9183    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124    0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9576    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0051   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614    0.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    1.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133    0.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777   -0.1346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041    0.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -1.2285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8791    0.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771   -2.1468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431   -1.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7830   -4.1274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5007   -4.3979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7908   -6.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246   -5.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7817   -7.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -7.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6158   -6.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6080   -4.1274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2681   -1.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0021   -2.1468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0415   -3.1109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4321   -2.5922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359   -2.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6611   -1.5775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7738   -1.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039   -0.3409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5679   -1.1698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.4019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7624   -0.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1970   -0.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0035    0.8463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7347   -3.7218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -2.4082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6778   -3.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118   -4.0414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888   -5.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3544   -5.4565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731   -4.7548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5812   -3.8790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0008   -6.4945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4044   -6.0447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9317   -6.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849   -3.7006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230   -4.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453   -5.2190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2317   -7.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2960   -6.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6958   -7.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9721   -7.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -6.8202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6463   -6.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415   -8.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -8.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677   -8.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8755   -4.8180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626   -5.5409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686   -6.0692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085   -8.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051   -7.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092   -8.9622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331   -8.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0055   -8.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082   -7.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4364   -9.4596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0454  -10.0014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8225   -9.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945   -4.8662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848   -5.4156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2415   -6.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3648   -7.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160   -8.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2305   -8.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1227   -5.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0251   -6.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4485   -6.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6149   -2.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1859   -2.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1974   -4.3307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2403   -4.8001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0193   -5.2163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6064   -5.4436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4659   -2.7031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0889   -3.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9562   -4.0330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868   -4.0414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8528   -3.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -2.4082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2763   -1.0522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7848   -0.2778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6721   -0.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4469   -1.7275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1530    0.6185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671    0.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2119    0.0292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1066    1.3089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5130    0.0091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6516    1.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621    1.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201    0.9776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883    0.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826    2.1641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0196    2.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6960    2.0576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717   -1.7385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524   -2.2976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6115   -1.2736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776   -2.0417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -2.2735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.4688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 39 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 43 42  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
  3 46  1  0  0  0  0
 47 43  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 47 54  1  1  0  0  0
 42 55  1  0  0  0  0
 39 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 38 59  1  0  0  0  0
 35 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 61 63  1  0  0  0  0
 34 64  1  0  0  0  0
 31 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 66 68  1  0  0  0  0
 30 69  1  0  0  0  0
 27 70  1  0  0  0  0
 23 71  1  0  0  0  0
 19 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 73 75  1  0  0  0  0
 18 76  1  0  0  0  0
 15 77  1  0  0  0  0
 77 78  1  0  0  0  0
 77 79  1  0  0  0  0
 11 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
 81 83  1  0  0  0  0
 10 84  1  0  0  0  0
  6 85  1  0  0  0  0
  1 86  1  0  0  0  0
  1 87  1  0  0  0  0
  1 88  1  0  0  0  0
  2 89  1  0  0  0  0
  2 90  1  0  0  0  0
  3 91  1  1  0  0  0
  7 92  1  0  0  0  0
  7 93  1  0  0  0  0
 11 94  1  1  0  0  0
 14 95  1  0  0  0  0
 15 96  1  1  0  0  0
 19 97  1  1  0  0  0
 22 98  1  0  0  0  0
 23 99  1  1  0  0  0
 26100  1  0  0  0  0
 27101  1  6  0  0  0
 31102  1  1  0  0  0
 35103  1  1  0  0  0
 39104  1  1  0  0  0
 43105  1  1  0  0  0
 46106  1  0  0  0  0
 47107  1  6  0  0  0
 48108  1  6  0  0  0
 49109  1  0  0  0  0
 49110  1  0  0  0  0
 49111  1  0  0  0  0
 50112  1  0  0  0  0
 50113  1  0  0  0  0
 51114  1  0  0  0  0
 52115  1  0  0  0  0
 53116  1  0  0  0  0
 53117  1  0  0  0  0
 53118  1  0  0  0  0
 54119  1  0  0  0  0
 55120  1  0  0  0  0
 55121  1  0  0  0  0
 55122  1  0  0  0  0
 56123  1  0  0  0  0
 57124  1  0  0  0  0
 57125  1  0  0  0  0
 57126  1  0  0  0  0
 58127  1  0  0  0  0
 58128  1  0  0  0  0
 58129  1  0  0  0  0
 59130  1  0  0  0  0
 59131  1  0  0  0  0
 59132  1  0  0  0  0
 60133  1  0  0  0  0
 60134  1  0  0  0  0
 61135  1  0  0  0  0
 62136  1  0  0  0  0
 62137  1  0  0  0  0
 62138  1  0  0  0  0
 63139  1  0  0  0  0
 63140  1  0  0  0  0
 63141  1  0  0  0  0
 64142  1  0  0  0  0
 64143  1  0  0  0  0
 64144  1  0  0  0  0
 65145  1  0  0  0  0
 65146  1  0  0  0  0
 66147  1  0  0  0  0
 67148  1  0  0  0  0
 67149  1  0  0  0  0
 67150  1  0  0  0  0
 68151  1  0  0  0  0
 68152  1  0  0  0  0
 68153  1  0  0  0  0
 69154  1  0  0  0  0
 69155  1  0  0  0  0
 69156  1  0  0  0  0
 70157  1  0  0  0  0
 70158  1  0  0  0  0
 70159  1  0  0  0  0
 71160  1  0  0  0  0
 71161  1  0  0  0  0
 71162  1  0  0  0  0
 72163  1  0  0  0  0
 72164  1  0  0  0  0
 73165  1  0  0  0  0
 74166  1  0  0  0  0
 74167  1  0  0  0  0
 74168  1  0  0  0  0
 75169  1  0  0  0  0
 75170  1  0  0  0  0
 75171  1  0  0  0  0
 76172  1  0  0  0  0
 76173  1  0  0  0  0
 76174  1  0  0  0  0
 77175  1  0  0  0  0
 78176  1  0  0  0  0
 78177  1  0  0  0  0
 78178  1  0  0  0  0
 79179  1  0  0  0  0
 79180  1  0  0  0  0
 79181  1  0  0  0  0
 80182  1  0  0  0  0
 80183  1  0  0  0  0
 81184  1  0  0  0  0
 82185  1  0  0  0  0
 82186  1  0  0  0  0
 82187  1  0  0  0  0
 83188  1  0  0  0  0
 83189  1  0  0  0  0
 83190  1  0  0  0  0
 84191  1  0  0  0  0
 84192  1  0  0  0  0
 84193  1  0  0  0  0
 85194  1  0  0  0  0
 85195  1  0  0  0  0
 85196  1  0  0  0  0
M  END
$$$$
419
  Mrv2314 01052423262D          

 47 49  0  0  0  0            999 V2000
    1.1752   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.1105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -1.3480    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5432   -2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3627   -3.5567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0319   -4.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9876   -3.8432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -1.9595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -2.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2756   -1.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272   -2.3102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1774   -3.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  3 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  2 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  0  0  0  0
  8 35  1  0  0  0  0
 12 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
$$$$
420
  Mrv2314 01052423262D          

 24 23  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    3.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  3  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
421
  Mrv2314 01052423262D          

 38 40  0  0  0  0            999 V2000
    2.9046   -0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901   -1.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -2.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776   -2.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757   -0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0467   -0.6507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0395   -1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465   -1.6427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590   -0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7070   -0.3151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132    1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1257    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132    0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1257    2.2072    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0632   -1.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -1.4739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6668   -0.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249   -0.1067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757   -1.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3932   -2.1017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729   -3.3399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4262   -2.5547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1268   -3.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7716   -3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1314    0.4991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3909    0.4991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5736   -2.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795   -0.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    1.3138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757    2.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9507    0.7783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3007    0.7783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738   -0.9119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
  6 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$
422
  Mrv2314 01052423262D          

 32 34  0  0  0  0            999 V2000
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -3.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -5.1642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3795   -4.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073   -4.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3607   -5.1642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  3 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
$$$$
423
  Mrv2314 01052423262D          

 58 62  0  0  1  0            999 V2000
    6.8213    1.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2409    3.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003    1.8784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8124    1.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2600    0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065    0.8870    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5932    1.7074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9261    2.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1722    1.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855    1.0372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7526    0.5519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6659   -0.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120   -0.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449   -0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4910   -0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238    0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700   -0.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106    0.8523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9973    1.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6645    1.1874    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3316    0.7021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4183    1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253   -1.4241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    2.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459    2.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6983    3.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4438    4.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5188    3.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3360    1.0611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4885    1.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    2.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2922    1.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.3811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7377   -0.0877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3095   -0.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394    1.3723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8954    3.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656    2.7981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7567    2.5703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    2.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9988    0.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4198    0.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   -1.0224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4043   -1.2739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    0.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1316    2.4867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3031    2.1185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5777    0.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963    2.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149    1.9536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    1.5767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972    3.2695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4673    3.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112    2.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0354    2.7185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2483    3.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2789    4.1511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 17  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 15  1  0  0  0  0
 22 23  1  1  0  0  0
 14 24  1  0  0  0  0
  8 25  1  1  0  0  0
  4 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  6  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  6  0  0  0
 12 43  1  1  0  0  0
 13 44  1  0  0  0  0
 16 45  1  0  0  0  0
 19 46  1  1  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  1  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
$$$$
424
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
    1.8414   -1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.5388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.5388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.3013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.5388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948   -0.7226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881   -0.7226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242   -2.8636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0775   -2.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -1.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.1263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
425
  Mrv2314 01052423262D          

 30 31  0  0  1  0            999 V2000
   -0.6078    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    4.3527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    5.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6548    1.8053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9097    1.0206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7347    1.0206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9897    1.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841   -0.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298    2.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    4.7652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    3.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    6.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    6.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573    2.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257    2.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843    0.2856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5496    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0435    0.3088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8189   -0.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186   -1.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244    0.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390    1.8992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  3  1  1  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  1  0  0  0
 14 15  1  0  0  0  0
 11 16  1  6  0  0  0
 10 17  1  1  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  6  0  0  0
 10 23  1  6  0  0  0
 11 24  1  1  0  0  0
 12 25  1  6  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$
426
  Mrv2314 01052423262D          

 53 55  0  0  0  0            999 V2000
    2.3454   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384   -1.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864   -0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413   -0.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    0.5155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5635    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    1.2055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    0.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    2.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    3.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    3.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    2.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    3.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648    4.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    3.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9937    3.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8974   -2.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.3813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794   -1.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073   -0.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    1.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    0.6017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2193    1.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4787    1.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1932    0.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9337    0.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222    0.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3627    0.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    1.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    1.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8339    0.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246    2.7198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543    2.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    3.6805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    4.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2464    2.4430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    2.8555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358    4.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    2.4430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    2.4430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7082    3.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  6 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END
$$$$
427
  Mrv2314 01052423262D          

 23 22  0  0  0  0            999 V2000
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$
428
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$
429
  Mrv2314 01052423262D          

 47 48  0  0  0  0            999 V2000
   -2.1434    7.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    5.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    3.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7376    3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    2.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819    2.9812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119    1.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    7.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    8.4161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    7.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7306    7.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5518    6.1827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6527    6.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6341    6.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350    6.1827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5562    7.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715    5.2017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.4661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3037    5.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993    4.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.4661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743    3.1641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    5.0052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718    5.7197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7816    5.2195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0522    2.7587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3630    3.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6576    4.2311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    4.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4324    1.6153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763    0.7754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  6 33  1  0  0  0  0
  8 34  1  0  0  0  0
 11 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$
430
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$
431
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9355    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$
432
  Mrv2314 01052423262D          

 32 31  0  0  0  0            999 V2000
    2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7972    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3696    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
M  END
$$$$
433
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -0.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311   -0.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$
434
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$
435
  Mrv2314 01052423262D          

 53 54  0  0  0  0            999 V2000
    0.9059   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789   -4.4256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202   -4.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -1.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666   -1.7197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 16 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
M  CHG  1   3   1
M  END
$$$$
436
  Mrv2314 01052423262D          

 42 44  0  0  0  0            999 V2000
   -0.5463   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -3.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5971   -3.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260   -3.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077   -2.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289   -1.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172   -1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1008   -2.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974   -3.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3849   -4.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5691   -4.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856   -5.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5972   -5.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   -4.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644   -3.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338   -1.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608   -2.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588   -3.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -3.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268   -3.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673   -3.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695   -1.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -0.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5220   -0.9485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8891   -2.5571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119   -4.0556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5654   -3.3417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -5.1733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0994   -4.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9903   -5.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -6.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041   -5.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630   -4.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
$$$$
437
  Mrv2314 01052423262D          

 57 60  0  0  1  0            999 V2000
    2.0630   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390   -1.6970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5218   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1731   -1.7404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9853   -1.5952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2655   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777   -0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4216   -1.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9534   -1.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655   -1.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6731   -2.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8610   -2.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.0807    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5171   -2.2259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2368   -3.0018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4247   -3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8928   -2.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0683   -2.4895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3074   -2.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031   -3.6268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6508   -2.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -2.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469   -3.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   -3.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7686   -3.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489   -2.8566    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5585   -2.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3433   -0.6408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871   -1.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827   -2.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2369   -2.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9326   -0.5186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584   -0.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050   -2.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534   -0.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4069   -0.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513   -0.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8422   -0.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4497    0.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7019   -0.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2049   -3.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1315   -3.4908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9565   -3.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741   -3.7614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122   -3.9719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129   -1.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5465   -3.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0715   -2.5235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1460   -4.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021   -4.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988   -2.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573   -3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3004   -4.2632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8575   -3.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2163   -3.6238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900   -3.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  6  0  0  0
 18 25  1  1  0  0  0
 16 26  1  0  0  0  0
 15 27  1  6  0  0  0
 14 28  1  1  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  1  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  6  0  0  0
  5 36  1  1  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  9 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 16 44  1  6  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END
$$$$
438
  Mrv2314 01052423262D          

 60 63  0  0  1  0            999 V2000
    2.0630   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390   -1.6970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5218   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1731   -1.7404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9853   -1.5952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2655   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777   -0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4216   -1.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9534   -1.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655   -1.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6731   -2.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8610   -2.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.0807    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5171   -2.2259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2368   -3.0018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4247   -3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8928   -2.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0683   -2.4895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3074   -2.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031   -3.6268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6508   -2.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -2.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856   -3.4461    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6813   -4.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0328   -3.3418    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6040   -3.5504    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9469   -3.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   -3.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7686   -3.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489   -2.8566    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5585   -2.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3433   -0.6408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871   -1.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827   -2.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2369   -2.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9326   -0.5186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584   -0.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050   -2.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534   -0.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4069   -0.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513   -0.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8422   -0.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4497    0.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7019   -0.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2049   -3.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1315   -3.4908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9565   -3.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741   -3.7614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122   -3.9719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129   -1.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5465   -3.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1460   -4.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021   -4.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988   -2.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573   -3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3004   -4.2632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8575   -3.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2163   -3.6238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900   -3.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 19 28  1  6  0  0  0
 18 29  1  1  0  0  0
 16 30  1  0  0  0  0
 15 31  1  6  0  0  0
 14 32  1  1  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  1  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4 39  1  6  0  0  0
  5 40  1  1  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  9 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 47  1  0  0  0  0
 16 48  1  6  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  CHG  2  26  -1  27  -1
M  END
$$$$
439
  Mrv2314 01052423262D          

 40 41  0  0  1  0            999 V2000
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4179    1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9270    1.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4912    0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0024    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375    1.9843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  9 18  4  0  0  0  0
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  1  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
440
  Mrv2314 01052423262D          

 45 48  0  0  1  0            999 V2000
    1.1093    1.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    0.9592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0575    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5168   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503   -0.9375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6119   -1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402   -1.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068   -0.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169   -0.1234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4282    1.2109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1618    0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135    0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360   -0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4825   -1.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3065   -1.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6840   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    0.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7530   -2.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5771   -1.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7388    2.1219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5761    2.2182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4798    1.0555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367    0.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0892    1.1568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393   -0.4967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829   -1.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197   -2.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325   -2.1699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352   -1.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1179   -0.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1638   -0.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1593    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830    0.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9322    0.0032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963    2.0331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9576    1.0506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    1.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050   -2.1131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5081   -0.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151    0.8211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6169   -2.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4011   -1.9538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5372   -1.1696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
  5 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  1  0  0  0
 11 37  1  6  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 15 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END
$$$$
441
  Mrv2314 01052423262D          

 66 66  0  0  0  0            999 V2000
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6053   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -2.1928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -2.7572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -1.8461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0480   -0.9182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0492   -1.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436    1.6375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    1.3553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2322    0.4455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8255    1.2735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622    2.0466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045    0.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5735   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622   -0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9259   -0.2652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    0.6958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5742    0.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
M  END
$$$$
442
  Mrv2314 01052423262D          

 32 32  0  0  0  0            999 V2000
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906   -0.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906    0.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$
443
  Mrv2314 01052423262D          

 33 35  0  0  0  0            999 V2000
    3.4479    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.6577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    1.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358   -1.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -1.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -1.0941    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -2.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527   -2.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691   -3.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808   -3.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -3.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596   -2.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522    1.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643    2.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436    1.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371   -0.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371    0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746    1.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    0.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410   -2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739   -3.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972   -4.4133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876   -3.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225   -1.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  2  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
$$$$
444
  Mrv2314 01052423262D          

 40 40  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    3.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    4.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714   -0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714    0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
445
  Mrv2314 01052423262D          

 40 40  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    3.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    4.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714   -0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714    0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
446
  Mrv2314 01052423262D          

 21 23  0  0  0  0            999 V2000
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  4  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$
447
  Mrv2314 01052423262D          

 42 42  0  0  0  0            999 V2000
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$
448
  Mrv2314 01052423262D          

 44 43  0  0  0  0            999 V2000
    5.9961    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    5.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7131    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836    5.0013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2816    3.8743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4086    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0808    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3403    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5097    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7692    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9126    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6531    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3676    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6271    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0821    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7966    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0560    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1995    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9400    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6544    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9139    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6284    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3689    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1256    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4276    5.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3006    5.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$
449
  Mrv2314 01052423262D          

 56 55  0  0  0  0            999 V2000
    8.4711    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1855    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3289    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    6.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7579    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1868    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9013    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6158    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3302    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0447    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7592    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737    4.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1881    6.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6171    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3315    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0460    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0586    6.4302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7566    5.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8836    5.0013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5558    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5297    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2703    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9847    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2442    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3876    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1281    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8426    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1021    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5571    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2716    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5310    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2455    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9860    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7005    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9600    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6745    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4150    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1294    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3889    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5323    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2729    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9873    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2468    6.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9613    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7018    4.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4585    5.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7605    6.5408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6335    6.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
M  END
$$$$
450
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
  4 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$
451
  Mrv2314 01052423262D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
$$$$
452
  Mrv2314 01052423262D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
$$$$
453
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  5 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$
454
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  5 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
455
  Mrv2314 01052423262D          

 18 17  0  0  0  0            999 V2000
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668   -0.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0340   -0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6429    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$
456
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$
457
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
 11 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  CHG  1  10  -1
M  END
$$$$
458
  Mrv2314 01052423262D          

 35 37  0  0  0  0            999 V2000
    3.9934    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8184    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8301    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
  4 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
  6 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  7 31  1  0  0  0  0
 16 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$
459
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -3.4914    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -2.3645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157   -4.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6456   -2.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
$$$$
460
  Mrv2314 01052423262D          

 31 30  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7583    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179    1.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652    2.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    2.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    1.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$
461
  Mrv2314 01052423262D          

 29 31  0  0  1  0            999 V2000
   -0.3984    2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1831    1.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    1.8341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8505    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643    3.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950    2.6621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    2.9015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149    1.0342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149    1.8089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818    0.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540    2.6489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6746    2.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3734    1.6809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088    3.8891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3495   -1.0988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  3  8  1  6  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  1  0  0  0
  5 23  1  1  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  9 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$
462
  Mrv2314 01052423262D          

 71 70  0  0  0  0            999 V2000
   -5.5756    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8612    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1467    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    2.5559    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1566    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9881    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2901    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1631    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4909    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2314    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5169    1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7764    1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8025    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0880    1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475    1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6330    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3735    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591    1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185    1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104    1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844    3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7631    1.1163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816    1.1343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    1.8487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841    2.6161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783    3.4845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0883    4.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    1.3298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298    1.7917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970    2.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245    3.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8319    1.3271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345    1.6014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140    3.1355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3696    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 23 71  1  0  0  0  0
M  CHG  1  11   1
M  END
$$$$
463
  Mrv2314 01052423262D          

 27 31  0  0  1  0            999 V2000
    2.3040    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102   -0.2007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6831    0.2420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6831    1.0670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5102    1.4493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2247    1.0368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2247    0.2118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9392    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    1.4493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3668    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -0.2007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2875    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672   -0.3574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6723    1.6496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -1.0880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.2118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3937    1.4595    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9473    2.3373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0497    0.2714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497    0.9771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960   -0.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0854    0.9622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1211    1.7661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784    2.1286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -0.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  1  0  0  0
 11 17  1  0  0  0  0
 10 18  1  0  0  0  0
  9 19  1  1  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  6  0  0  0
  3 23  1  1  0  0  0
  4 24  1  1  0  0  0
  5 25  1  6  0  0  0
  6 26  1  1  0  0  0
  7 27  1  1  0  0  0
M  END
$$$$
464
  Mrv2314 01052423262D          

 30 30  0  0  0  0            999 V2000
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$
465
  Mrv2314 01052423262D          

 20 19  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453   -0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047   -0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192   -2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597   -2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887   -2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031   -0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626   -0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
$$$$
466
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023   -3.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -3.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    0.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$
467
  Mrv2314 01052423262D          

 44 47  0  0  0  0            999 V2000
    4.2741   -1.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9415   -2.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866   -3.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616   -3.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -2.6780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668   -4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4291   -4.7740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164   -4.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6943   -5.1998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -5.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4205   -5.5990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115   -3.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0338   -4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -4.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6112   -4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889   -3.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390   -3.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8611   -4.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886   -4.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -4.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340   -4.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563   -3.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062   -3.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2663   -3.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8288   -2.9247    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7063   -5.1053    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0991   -1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741   -0.5431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491   -1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390   -1.8185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7540   -2.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5146   -2.0845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5903   -4.2332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662   -3.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7453   -3.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4491   -6.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2061   -5.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5166   -2.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6391   -5.5232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841   -4.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3286   -2.2378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388   -4.0150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
  5 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 14 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
$$$$
468
  Mrv2314 01052423262D          

 36 38  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827   -0.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222   -1.2125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -2.2521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -4.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864   -2.8282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3327    0.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    0.4014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204   -0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773   -2.3166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6081   -2.8265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  3 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  4 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  CHG  1   6   1
M  END
$$$$
469
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
  3 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 24  1  0  0  0  0
 10 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
$$$$
470
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  5 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
$$$$
471
  Mrv2314 01052423262D          

119126  0  0  1  0            999 V2000
    4.0723    4.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526    5.2631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8208    5.8938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1011    6.6697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9132    6.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    6.1842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1647    5.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2572    6.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7890    5.6987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6011    5.8440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1329    5.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8526    4.4373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0405    4.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5087    4.9228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6966    4.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3844    3.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1041    3.0307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6360    2.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3557    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5435    1.4789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0117    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920    2.8855    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7602    3.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.5577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1708   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3587   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    0.2673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1072    1.0432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9193    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0148    0.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7345   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224   -0.7991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3905   -0.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6708    0.6076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0195    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -0.1416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0596   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2889   -1.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061   -2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0452   -1.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5466   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4481    2.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8814    6.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5693    7.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087    5.7486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2964    4.7675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920    3.7113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    4.2069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    4.6324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    5.1179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3814    7.4457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6878    7.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3240    7.5304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9769    5.5535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693    6.4747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4132    5.9892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5723    3.6614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2284    4.1469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3208    5.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7328    5.2031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4163    4.0017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8238    2.2548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9163    3.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7314    1.3336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3785    2.6383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1867    2.1076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1468    3.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9439    3.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0295   -1.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5850   -0.9317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -1.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    1.8191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5328    1.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6952    0.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    2.4867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1612    2.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2738    2.1928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1600   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3876   -1.4024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -1.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779   -1.3142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    1.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    1.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7557    0.0139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -1.8657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3134   -0.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5865   -0.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3283    2.0321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612   -0.6133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400   -1.1463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5495   -1.5809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226   -2.3508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5066   -1.3327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193   -1.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7407   -0.3320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3782    1.7232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2240    2.2649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9197    3.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6935    6.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1617    7.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3496    7.2506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7934    7.5807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2328    6.0289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 28  1  0  0  0  0
 34 35  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 41 40  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  1  1  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 42 47  1  0  0  0  0
 38 48  1  1  0  0  0
 37 49  1  1  0  0  0
 36 50  1  0  0  0  0
 28 51  1  1  0  0  0
 18 52  1  0  0  0  0
 10 53  1  0  0  0  0
  4 54  1  0  0  0  0
  3 55  1  0  0  0  0
  1 56  1  0  0  0  0
  1 57  1  0  0  0  0
  1 58  1  0  0  0  0
  2 59  1  1  0  0  0
  3 60  1  6  0  0  0
  4 61  1  6  0  0  0
  5 62  1  0  0  0  0
  5 63  1  0  0  0  0
  6 64  1  1  0  0  0
  9 65  1  1  0  0  0
 10 66  1  6  0  0  0
 12 67  1  6  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 70  1  1  0  0  0
 15 71  1  0  0  0  0
 17 72  1  1  0  0  0
 18 73  1  6  0  0  0
 20 74  1  6  0  0  0
 21 75  1  0  0  0  0
 21 76  1  0  0  0  0
 22 77  1  1  0  0  0
 23 78  1  0  0  0  0
 25 79  1  6  0  0  0
 26 80  1  0  0  0  0
 26 81  1  0  0  0  0
 27 82  1  0  0  0  0
 27 83  1  0  0  0  0
 29 84  1  1  0  0  0
 30 85  1  0  0  0  0
 30 86  1  0  0  0  0
 31 87  1  0  0  0  0
 31 88  1  0  0  0  0
 32 89  1  0  0  0  0
 32 90  1  0  0  0  0
 33 91  1  1  0  0  0
 34 92  1  6  0  0  0
 35 93  1  0  0  0  0
 35 94  1  0  0  0  0
 36 95  1  6  0  0  0
 39 96  1  0  0  0  0
 39 97  1  0  0  0  0
 40 98  1  0  0  0  0
 40 99  1  0  0  0  0
 41100  1  6  0  0  0
 43101  1  0  0  0  0
 47102  1  0  0  0  0
 47103  1  0  0  0  0
 48104  1  0  0  0  0
 49105  1  0  0  0  0
 49106  1  0  0  0  0
 49107  1  0  0  0  0
 50108  1  0  0  0  0
 51109  1  0  0  0  0
 51110  1  0  0  0  0
 51111  1  0  0  0  0
 52112  1  0  0  0  0
 52113  1  0  0  0  0
 52114  1  0  0  0  0
 53115  1  0  0  0  0
 53116  1  0  0  0  0
 53117  1  0  0  0  0
 54118  1  0  0  0  0
 55119  1  0  0  0  0
M  END
$$$$
472
  Mrv2314 01052423262D          

 54 54  0  0  0  0            999 V2000
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6053   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  END
$$$$
473
  Mrv2314 01052423262D          

 42 42  0  0  0  0            999 V2000
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321    2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123    3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8702   -1.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$
474
  Mrv2314 01052423262D          

 55 57  0  0  1  0            999 V2000
    5.7904    2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529    3.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529    1.9441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279    1.9441    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3700    1.2008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5656    1.0173    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    2.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656    2.8710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700    2.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843    3.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821    3.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937    3.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101    4.7228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218    4.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843    0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145    0.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9131   -0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0973   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5829   -0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4275   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2433   -1.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7904    1.8336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6154    2.6586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7904    3.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1668    2.6427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    1.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    0.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    1.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    2.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    3.5941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1743    3.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    4.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567    3.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985    4.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    5.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1666    5.2092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3786    4.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393    5.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581    6.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163    5.7229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0303    0.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7959   -1.6251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7671   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3662   -2.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590   -1.1333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203   -0.4405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6 22  1  6  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  5 33  1  1  0  0  0
  6 34  1  1  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END
$$$$
475
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
    3.8395    2.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    1.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2596    2.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9741    2.0202    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8025    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8070   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2195   -1.0164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3546    0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0110    2.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325    2.2237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680    1.2452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1733    3.2532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5519    1.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8051    1.7618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100    1.0573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800   -1.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0213   -0.7553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820   -1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4963    0.1514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.5216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    0.2997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0707    1.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4853    1.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  3 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$
476
  Mrv2314 01052423262D          

 24 23  0  0  0  0            999 V2000
    4.8099    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367    1.4517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962    1.4517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    1.5377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536    1.0302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117    0.1705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -0.7334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189   -0.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    0.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
477
  Mrv2314 01052423262D          

 49 51  0  0  0  0            999 V2000
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -6.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3198   -6.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0257   -4.6732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3960   -5.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
  4 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
$$$$
478
  Mrv2314 01052423262D          

 23 22  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$
479
  Mrv2314 01052423262D          

 24 24  0  0  0  0            999 V2000
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$
480
  Mrv2314 01052423262D          

 20 19  0  0  0  0            999 V2000
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$
481
  Mrv2314 01052423262D          

 12 11  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122   -0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334    0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343    0.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834    0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
$$$$
482
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -2.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9249   -0.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0569   -0.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524   -0.8278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -1.6491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -2.3609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6563   -3.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3118   -3.2149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -4.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390    0.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
  5 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
$$$$
483
  Mrv2314 01052423262D          

 66 66  0  0  0  0            999 V2000
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -5.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -6.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3198   -6.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -4.6732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -5.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6053   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
M  END
$$$$
484
  Mrv2314 01052423262D          

 29 29  0  0  0  0            999 V2000
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312    0.9926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  6 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  8 27  1  0  0  0  0
 10 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  CHG  4  11   1  13  -1  14   1  16  -1
M  END
$$$$
485
  Mrv2314 01052423262D          

 48 48  0  0  0  0            999 V2000
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6333    0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1446    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6311   -0.3877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    0.3863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6815    1.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$
486
  Mrv2314 01052423262D          

 35 36  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834    0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  6 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$
487
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    0.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
488
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    0.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
489
  Mrv2314 01052423262D          

 24 25  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$
490
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4045   -1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0343   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112    0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6815    0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  8 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$
492
  Mrv2314 01052423262D          

 26 28  0  0  0  0            999 V2000
    1.5395    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4915    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502    2.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537    2.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  CHG  2   3   1  14   1
M  END
$$$$
493
  Mrv2314 01052423262D          

 54 55  0  0  0  0            999 V2000
   -2.3645    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758    2.6885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956    1.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423    0.8321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603    0.9553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603    1.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411   -1.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146   -2.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4122   -1.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8211    1.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    0.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460    1.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5122    2.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    2.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2342    3.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1714    4.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188    4.5085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4364    4.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  7 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END
$$$$
494
  Mrv2314 01052423262D          

 33 32  0  0  0  0            999 V2000
    5.3625   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -1.7309    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -3.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6393   -2.4045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980   -2.0343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   -1.6412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -1.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836   -2.3035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -3.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428   -3.1487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070   -0.8986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183   -0.6165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9906    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
$$$$
495
  Mrv2314 01052423262D          

 41 41  0  0  0  0            999 V2000
    2.2494    2.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772    3.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2643    3.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6413    3.1188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    3.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748    4.0849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589    3.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608    2.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608    1.7803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5659    2.0514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5818    2.8707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 19 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
$$$$
496
  Mrv2314 01052423262D          

 24 24  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
497
  Mrv2314 01052423262D          

 51 54  0  0  1  0            999 V2000
    3.8598    2.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5484    1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093    1.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    1.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6421    2.6806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8182    3.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551    2.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    2.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050    2.5566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474    2.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9979    2.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941    1.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -1.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -0.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0702    1.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510    2.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095    1.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762    1.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1392    1.1103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  3  0  0  0  0
 11 14  1  1  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 17  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  6  0  0  0
  7 34  1  1  0  0  0
  8 35  1  6  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 18 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  1  0  0  0
M  END
$$$$
498
  Mrv2314 01052423262D          

 50 49  0  0  0  0            999 V2000
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    3.2704    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.5237    3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2217    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3967    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3203    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7492    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4637    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7232    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1781    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1521    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8666    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6071    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7505    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0100    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7245    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4650    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9362    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    4.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1112    4.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0072    1.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6336    1.8411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0185    2.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5495    4.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8814    4.6291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9717    3.2778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
M  CHG  1  13   1
M  END
$$$$
499
  Mrv2314 01052423262D          

 56 57  0  0  0  0            999 V2000
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   -5.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612   -4.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861   -2.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218   -2.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487   -4.3788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6309   -4.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8756   -3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
$$$$
500
  Mrv2314 01052423262D          

 54 58  0  0  0  0            999 V2000
   -2.0470    2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851    1.8818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371    1.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3441    1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990    2.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060    2.3964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7416    3.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5621    3.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0470    3.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7114    4.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8909    4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060    3.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1963    5.1524    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7336    2.2568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0191    1.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9329    1.0239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227    3.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6270    3.4247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4716    2.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0219    3.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6614    0.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572    0.6820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1126    1.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5623    0.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8540    3.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8675    3.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554    5.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8455    4.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4873    1.9213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903    2.0104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400    2.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917    0.6255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523    1.0542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    1.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
 10 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 15 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
$$$$
501
  Mrv2314 01052423262D          

 42 44  0  0  0  0            999 V2000
    5.2326    3.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2326    2.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9471    2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -1.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    3.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2326    4.4570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4076    3.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5346    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6616    1.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3596    3.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0648    3.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    2.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9715    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    1.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    1.5695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6796    1.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381    0.5013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -2.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8612   -1.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392    1.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  7 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$
502
  Mrv2314 01052423262D          

 39 41  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253   -0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.4445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4110   -0.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522   -1.2219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -2.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815   -1.6980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3099   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -0.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
  9 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
  3 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 18 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$
503
  Mrv2314 01052423262D          

 52 55  0  0  0  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3198   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0257   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3960   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7845   -5.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -8.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1104   -7.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7402   -8.1143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 14 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 23 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END
$$$$
504
  Mrv2314 01052423262D          

138144  0  0  1  0            999 V2000
   10.9458    4.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8327    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0684    3.1033    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4172    3.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9553    2.2861    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6064    1.7795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4933    0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7290    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0778    1.1582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1910    1.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4267    1.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6624    1.3542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5492    0.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2004    0.0304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9647    0.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0873   -0.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3230   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098   -1.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4455   -2.2252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7944   -1.7187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9075   -0.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2564   -0.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3695    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7184    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5849    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2158    2.1656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8315    1.7461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5958    2.0567    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6710    2.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9705    3.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2429    2.9901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5423    3.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9976    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2469    1.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1338    0.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    1.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188    2.5665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3324   -3.0425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -3.3531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4550   -4.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907   -4.4809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0395   -3.9743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1527   -3.1571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9170   -2.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5015   -2.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2752   -4.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -5.1021    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3978   -5.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2847   -6.2300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9358   -6.7366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7001   -6.4259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8132   -5.6087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3513   -6.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8227   -7.5538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4738   -8.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204   -6.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692   -6.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5775   -5.2981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287   -5.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8610   -2.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3707    2.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7630    4.1179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0590    5.0483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1286    4.3442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1872    2.6689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6419    3.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1815    3.9205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3150    4.4285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000    3.7230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0965    2.8498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3041    2.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7195    2.5967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1444    0.4557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0396   -0.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3962    2.4892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    2.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8981    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8505    0.0984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2959   -0.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8515   -0.4762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1177   -1.6112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405   -1.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4991   -1.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6812   -2.5359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1432   -1.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2713   -0.1610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392   -0.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4827    1.2395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1819    0.4557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    0.0466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4735    2.5257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3516    2.3875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1508    3.6143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700    3.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514    3.8767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7870    3.9639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4333    4.9040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4337    4.8057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5424    3.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5322   -1.3714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2129   -1.9161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3722   -2.5271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2193   -3.8597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4854   -4.9947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083   -4.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9264   -4.7915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884   -3.4677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038   -3.6637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7622   -1.8678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -2.0681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196   -2.9137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5109   -4.5956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6686   -5.0269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -5.5859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1715   -7.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5870   -7.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4644   -6.1153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2381   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0024   -7.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1155   -6.6219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161   -8.2049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095   -8.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3607   -8.8775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -8.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641   -5.2349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0454   -5.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809   -6.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6982   -6.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0334   -5.9866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443   -5.3942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826   -2.8908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1058   -3.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6860   -2.4235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3489    1.2654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1175    1.7395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9913    2.6337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 24  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 29 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 12 37  1  0  0  0  0
 28 38  1  1  0  0  0
 20 39  1  0  0  0  0
 19 40  1  0  0  0  0
 41 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 41 46  1  0  0  0  0
 45 47  1  0  0  0  0
 44 48  1  0  0  0  0
 49 48  1  0  0  0  0
 49 50  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 49 54  1  0  0  0  0
 53 55  1  0  0  0  0
 52 56  1  0  0  0  0
 56 57  1  0  0  0  0
 51 58  1  0  0  0  0
 58 59  1  0  0  0  0
 43 60  1  0  0  0  0
 60 61  1  0  0  0  0
 18 62  1  0  0  0  0
  6 63  1  0  0  0  0
  1 64  1  0  0  0  0
  1 65  1  0  0  0  0
  1 66  1  0  0  0  0
  2 67  1  0  0  0  0
  2 68  1  0  0  0  0
  3 69  1  6  0  0  0
  4 70  1  0  0  0  0
  4 71  1  0  0  0  0
  4 72  1  0  0  0  0
  5 73  1  1  0  0  0
  6 74  1  6  0  0  0
  7 75  1  0  0  0  0
  8 76  1  0  0  0  0
 11 77  1  0  0  0  0
 11 78  1  0  0  0  0
 12 79  1  1  0  0  0
 13 80  1  0  0  0  0
 13 81  1  0  0  0  0
 14 82  1  1  0  0  0
 16 83  1  0  0  0  0
 16 84  1  0  0  0  0
 17 85  1  0  0  0  0
 19 86  1  6  0  0  0
 20 87  1  6  0  0  0
 21 88  1  0  0  0  0
 22 89  1  0  0  0  0
 23 90  1  0  0  0  0
 25 91  1  0  0  0  0
 25 92  1  0  0  0  0
 27 93  1  1  0  0  0
 29 94  1  6  0  0  0
 30 95  1  0  0  0  0
 32 96  1  1  0  0  0
 33 97  1  0  0  0  0
 34 98  1  0  0  0  0
 34 99  1  0  0  0  0
 34100  1  0  0  0  0
 38101  1  0  0  0  0
 39102  1  0  0  0  0
 39103  1  0  0  0  0
 39104  1  0  0  0  0
 41105  1  6  0  0  0
 42106  1  0  0  0  0
 42107  1  0  0  0  0
 43108  1  1  0  0  0
 44109  1  6  0  0  0
 45110  1  1  0  0  0
 47111  1  0  0  0  0
 47112  1  0  0  0  0
 47113  1  0  0  0  0
 49114  1  1  0  0  0
 50115  1  0  0  0  0
 50116  1  0  0  0  0
 51117  1  6  0  0  0
 52118  1  1  0  0  0
 53119  1  6  0  0  0
 55120  1  0  0  0  0
 55121  1  0  0  0  0
 55122  1  0  0  0  0
 56123  1  0  0  0  0
 57124  1  0  0  0  0
 57125  1  0  0  0  0
 57126  1  0  0  0  0
 59127  1  0  0  0  0
 59128  1  0  0  0  0
 59129  1  0  0  0  0
 61130  1  0  0  0  0
 61131  1  0  0  0  0
 61132  1  0  0  0  0
 62133  1  0  0  0  0
 62134  1  0  0  0  0
 62135  1  0  0  0  0
 63136  1  0  0  0  0
 63137  1  0  0  0  0
 63138  1  0  0  0  0
M  END
$$$$
505
  Mrv2314 01052423262D          

 61 65  0  0  1  0            999 V2000
    2.3834   -9.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -8.9782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -9.3907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5268   -8.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2413   -9.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2413  -10.2157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9949   -9.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5470  -10.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1345  -11.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275  -11.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5268  -10.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123  -10.2157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0979  -10.6282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0116  -11.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047  -11.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7922  -10.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3442  -10.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -8.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -7.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834   -7.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834   -6.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6689   -6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8843   -6.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3994   -6.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8843   -5.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6689   -5.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834   -5.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -5.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923   -8.5657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780   -8.9628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6559   -9.7797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -9.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8971   -8.2409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565   -8.2409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8899   -8.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4010   -8.5813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7245   -9.4949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2613   -9.0993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119  -10.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2309  -10.0319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769  -12.0307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7846  -11.7156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9057  -11.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4096  -11.4448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5268   -9.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9259  -12.2692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872  -12.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545  -12.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2622  -12.4432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082  -10.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272  -11.2148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5157  -11.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5232  -10.3739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6070   -7.4618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100   -8.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294   -7.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4256   -6.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834   -4.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -5.2657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -6.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  6  0  0  0
  6 11  1  0  0  0  0
 12 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 22 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 21 29  4  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  6  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 46  1  1  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 61  1  0  0  0  0
M  END
$$$$
506
  Mrv2314 01052423262D          

 25 27  0  0  0  0            999 V2000
    2.4363   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6812    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6852    1.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    1.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    1.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    0.6109    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4720    0.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2415   -0.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0853    1.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688    1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0773   -0.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1407    0.2979    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1471    0.8927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9956   -1.0648    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832   -0.2109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753    1.4709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0133    2.3139    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9386   -0.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316   -1.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6818   -0.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881    1.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477    2.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3117    2.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 10 18  1  0  0  0  0
  9 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
M  END
$$$$
507
  Mrv2314 01052423262D          

 23 24  0  0  0  0            999 V2000
    0.1635    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    0.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    1.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0214    0.5418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0214   -0.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069   -1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    1.2311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601    0.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601   -0.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898   -0.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -1.5207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -1.1082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925    1.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    1.6687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    0.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7194   -2.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
 10 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$
508
  Mrv2314 01052423262D          

 27 31  0  0  1  0            999 V2000
    2.3040    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102   -0.2007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6831    0.2420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6831    1.0670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5102    1.4493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2247    1.0368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2247    0.2118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9392    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    1.4493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3668    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -0.2007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2875    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672   -0.3574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6723    1.6496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -1.0880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.2118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3937    1.4595    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9473    2.3373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0497    0.2714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497    0.9771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960   -0.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0854    0.9622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1211    1.7661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784    2.1286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -0.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  6  0  0  0
 11 17  1  0  0  0  0
 10 18  1  0  0  0  0
  9 19  1  6  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  6  0  0  0
  3 23  1  6  0  0  0
  4 24  1  6  0  0  0
  5 25  1  6  0  0  0
  6 26  1  1  0  0  0
  7 27  1  1  0  0  0
M  END
$$$$
509
  Mrv2314 01052423262D          

 40 42  0  0  1  0            999 V2000
    2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -5.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275   -5.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425   -4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2329   -6.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019   -2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865   -1.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4996   -2.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3281   -3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5434   -3.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303   -2.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2842   -2.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -0.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332   -0.9692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0747   -3.3037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060   -3.5273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286   -2.7908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040   -4.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919   -6.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -4.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0159   -3.7602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973   -6.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132   -1.1344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7855   -0.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4584   -1.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9411   -3.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7145   -4.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7150   -2.6332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8973   -2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 10 14  1  0  0  0  0
  2 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 18 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  1  0  0  0
  3 26  1  6  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
$$$$
510
  Mrv2314 01052423262D          

 35 39  0  0  0  0            999 V2000
    6.1302   -4.9645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7944   -4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9739   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892   -4.7925    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6382   -3.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8177   -3.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4819   -2.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666   -1.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308   -1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4746   -0.2711    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3256   -1.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051   -1.6062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6614   -2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -3.1134    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7871   -1.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5319   -1.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1992   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990    0.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8668   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2260   -1.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9712   -2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1643   -2.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6121   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1229   -2.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9434   -2.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0997   -3.6294    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -0.2885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285   -0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0329   -1.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5235   -3.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5629   -3.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4587   -3.4574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
  7 14  4  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 16 25  1  0  0  0  0
 20 25  4  0  0  0  0
 16 26  1  0  0  0  0
  5 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
  2 28  4  0  0  0  0
 28 29  1  0  0  0  0
  9 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 27 35  1  0  0  0  0
M  CHG  2   1  -1  13  -1
M  END
$$$$
511
  Mrv2314 01052423262D          

 35 36  0  0  0  0            999 V2000
    0.7954   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7954    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0296   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    0.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
$$$$
512
  Mrv2314 01052423262D          

 36 39  0  0  1  0            999 V2000
    1.7021    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877    1.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2732    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2732    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877   -1.1514    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4002   -1.8658    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5752   -1.8658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220   -1.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707   -1.0462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707   -0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334    0.2787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811   -0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3805   -0.8888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488   -2.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707   -2.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9194   -3.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -4.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2756   -3.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948   -4.8566    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413   -0.3264    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    1.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877    2.1486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413    1.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536    0.4267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908   -0.9378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0466   -1.8201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488   -1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592   -0.4733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2026    0.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -2.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7412   -3.5050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1511   -4.7128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538   -3.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  7  5  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
  8 16  1  1  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
  4 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  1  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$
513
  Mrv2314 01052423262D          

 31 30  0  0  0  0            999 V2000
    1.2375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020   -0.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607   -0.9756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230   -2.2525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643   -1.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453   -0.1819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510    1.5114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6541    0.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980   -0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6393   -0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
$$$$
514
  Mrv2314 01052423262D          

 40 43  0  0  1  0            999 V2000
   -2.0361   -0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6762   -1.3546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1444   -0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -0.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520   -1.6450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5838   -2.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -3.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5086   -3.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -2.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601   -1.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -1.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1041   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3844   -2.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526   -2.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965   -2.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959   -2.1305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0473   -2.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7301   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008   -1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0071   -0.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5554    0.0583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    0.1302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8602   -0.5742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -0.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8641   -1.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927   -0.8601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898   -0.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283   -2.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8353   -3.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109   -4.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1073   -3.7645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -0.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359   -0.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1329   -3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768   -3.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983   -2.9315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6633   -3.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187   -3.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5468   -2.0571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2836   -2.7856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 16  6  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  1  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  1  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END
$$$$
515
  Mrv2314 01052423262D          

118120  0  0  1  0            999 V2000
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258   -3.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4385   -4.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0512   -5.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0237   -0.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2233   -0.6399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5641    2.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588    2.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588    0.4406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6611    2.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654    1.7267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8830   -0.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9778   -5.7149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4891   -3.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1047   -2.9649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1846   -3.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209   -5.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3867   -5.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8757   -5.1694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127   -4.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014   -4.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1694   -3.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5648   -4.9361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0369   -4.8849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5404   -4.1512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5016   -4.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1131   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5016   -2.9156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9903   -5.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3705   -4.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6095   -1.5665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8366   -1.1266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7709   -0.6359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0320   -0.4768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9416    2.6885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9312    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838    2.9110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    2.6952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8179    1.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0676    3.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  3 18  1  6  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 23 29  1  6  0  0  0
 23 30  1  1  0  0  0
 30 31  1  0  0  0  0
 13 32  1  0  0  0  0
 12 33  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 38 37  1  0  0  0  0
 38 39  1  0  0  0  0
 34 39  1  0  0  0  0
 38 40  1  0  0  0  0
 36 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 35 44  1  0  0  0  0
 11 45  1  6  0  0  0
 11 46  1  1  0  0  0
  9 47  1  0  0  0  0
  6 48  1  0  0  0  0
  5 49  1  0  0  0  0
  4 50  1  6  0  0  0
  4 51  1  1  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  2 55  1  0  0  0  0
  2 56  1  0  0  0  0
  3 57  1  1  0  0  0
  5 58  1  1  0  0  0
  6 59  1  6  0  0  0
  9 60  1  1  0  0  0
 10 61  1  0  0  0  0
 10 62  1  0  0  0  0
 12 63  1  1  0  0  0
 13 64  1  6  0  0  0
 14 65  1  1  0  0  0
 15 66  1  1  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 21 70  1  6  0  0  0
 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 24 73  1  6  0  0  0
 25 74  1  1  0  0  0
 27 75  1  0  0  0  0
 27 76  1  0  0  0  0
 27 77  1  0  0  0  0
 28 78  1  0  0  0  0
 29 79  1  0  0  0  0
 29 80  1  0  0  0  0
 29 81  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 31 84  1  0  0  0  0
 32 85  1  0  0  0  0
 32 86  1  0  0  0  0
 32 87  1  0  0  0  0
 34 88  1  6  0  0  0
 35 89  1  1  0  0  0
 36 90  1  6  0  0  0
 37 91  1  0  0  0  0
 37 92  1  0  0  0  0
 38 93  1  6  0  0  0
 40 94  1  0  0  0  0
 40 95  1  0  0  0  0
 40 96  1  0  0  0  0
 42 97  1  0  0  0  0
 42 98  1  0  0  0  0
 42 99  1  0  0  0  0
 43100  1  0  0  0  0
 43101  1  0  0  0  0
 43102  1  0  0  0  0
 44103  1  0  0  0  0
 45104  1  0  0  0  0
 45105  1  0  0  0  0
 45106  1  0  0  0  0
 46107  1  0  0  0  0
 47108  1  0  0  0  0
 47109  1  0  0  0  0
 47110  1  0  0  0  0
 48111  1  0  0  0  0
 48112  1  0  0  0  0
 48113  1  0  0  0  0
 49114  1  0  0  0  0
 50115  1  0  0  0  0
 50116  1  0  0  0  0
 50117  1  0  0  0  0
 51118  1  0  0  0  0
M  END
$$$$
516
  Mrv2314 01052423262D          

 52 54  0  0  1  0            999 V2000
    3.5724   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1599   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349   -3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224   -2.5046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -6.0770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0474   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599   -4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -7.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.2039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -7.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -6.7914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484   -5.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -6.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831   -4.9880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974   -3.9336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.5046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -3.9336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -8.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -8.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -7.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -7.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -8.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599  -10.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099  -10.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974   -8.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4 38  1  6  0  0  0
  6 39  1  0  0  0  0
  7 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  0  0  0  0
 15 43  1  1  0  0  0
 19 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
$$$$
517
  Mrv2314 01052423262D          

 42 45  0  0  1  0            999 V2000
    4.3228   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.1684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.6076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2939   -0.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8421   -1.5812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6827   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469   -0.9487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -1.4647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941   -0.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970   -1.1958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023    1.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    1.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    1.9377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    2.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    2.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136    1.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -1.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492   -0.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901    1.4789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
  5 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  1  0  0  0
  6 29  1  6  0  0  0
  7 30  1  1  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$
518
  Mrv2314 01052423262D          

 37 37  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -1.2783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -0.3717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -2.6459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
 10 36  1  0  0  0  0
 12 37  1  0  0  0  0
M  CHG  4  14   1  16  -1  21   1  23  -1
M  END
$$$$
519
  Mrv2314 01052423262D          

 46 47  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3974   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
 10 34  1  0  0  0  0
 13 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$
520
  Mrv2314 01052423262D          

  9  8  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
$$$$
521
  Mrv2314 01052423262D          

 41 40  0  0  0  0            999 V2000
    5.8263    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    2.1434    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.8414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4821    2.1662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416    2.1662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    0.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972   -0.7006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336   -0.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161    1.1132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    2.1662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742    2.1662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747   -0.7861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1563   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4282   -0.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1832   -0.8044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1322    0.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$
522
  Mrv2314 01052423262D          

 37 38  0  0  0  0            999 V2000
   -2.6909    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.1104    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115   -1.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7508   -1.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196   -2.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    0.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5159    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909   -0.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767    0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180    0.8401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030    0.0371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -0.5392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5562   -1.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8010    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1311   -1.1917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5569   -2.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7918   -2.7478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4316   -2.8648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684   -2.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7576   -1.8053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$
523
  Mrv2314 01052423262D          

 32 31  0  0  0  0            999 V2000
    4.9500   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.1434    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357   -3.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770   -3.6815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4018   -1.6901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7605   -1.3198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915   -0.9267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8083   -1.1132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4539   -1.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1041   -2.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9053   -2.4343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8695   -0.1842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3808    0.0980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7531    0.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135    0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END
$$$$
524
  Mrv2314 01052423262D          

 35 36  0  0  0  0            999 V2000
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793    0.4937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    0.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898   -1.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   -1.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7907   -0.3239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  5 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$
525
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  6 20  1  0  0  0  0
 20 21  3  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$
526
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
    1.8414   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.2797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -2.0203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5787   -4.1637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5787   -3.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -5.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -4.9612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0853   -4.9612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560   -5.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -3.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -4.1637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736   -2.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2085   -2.9357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519   -2.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5932   -2.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
M  END
$$$$
527
  Mrv2314 01052423262D          

 21 20  0  0  0  0            999 V2000
    0.1105   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343   -0.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257    0.5377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8156   -0.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999   -0.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
$$$$
528
  Mrv2314 01052423262D          

 18 18  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$
529
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$
530
  Mrv2314 01052423262D          

 42 44  0  0  0  0            999 V2000
    4.4703   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -0.6855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028   -1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -1.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204   -1.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265    0.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987   -2.1352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2772   -1.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418   -0.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8948   -1.4569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451   -1.9524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    1.6387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -1.5105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557    1.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6060    1.3257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    1.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451    2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689   -1.7847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4222   -1.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8486   -1.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3265   -2.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6419   -2.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3335   -0.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577   -1.4851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996    0.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  5  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  4 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
 11 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$
531
  Mrv2314 01052423262D          

 49 51  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390   -2.3346    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -4.0144    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206   -0.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944   -1.8657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550   -1.1290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  9 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
$$$$
532
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -1.4901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7977   -1.3076    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1326   -0.3378    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6783    3.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    4.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717    3.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703    2.3038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6001    1.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
$$$$
533
  Mrv2314 01052423262D          

 24 24  0  0  0  0            999 V2000
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
534
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
  5 18  1  0  0  0  0
  4 19  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
 10 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$
535
  Mrv2314 01052423262D          

 41 44  0  0  1  0            999 V2000
    1.9339    2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -2.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -2.9332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179   -2.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179   -1.8532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -2.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    3.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9883    1.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840    2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7585    0.3751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045    1.0995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4505   -0.9852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556   -1.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016   -0.2982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -3.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505   -3.1632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -3.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -2.2657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -1.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  2 15  4  0  0  0  0
 10 15  4  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 18 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  1  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$
536
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
   -3.6037    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8501   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9363   -0.9698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7433   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1558   -0.4269    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0788   -1.8950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8993   -1.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2349   -2.7350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3842   -1.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1356    0.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211   -0.1494    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066    0.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0078   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223    0.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4368   -0.1494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512    0.2631    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    0.6756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637   -0.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7387    0.9776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223    1.0881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7753    0.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0553   -2.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7499   -3.4024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0487   -0.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2047   -1.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7653    1.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058    1.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3364    1.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0769    1.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -0.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3781   -0.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512    1.6921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137    0.9776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703    1.9117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0149    1.4584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$
537
  Mrv2314 01052423262D          

 46 49  0  0  0  0            999 V2000
    3.7068   -1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2588   -2.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9262   -2.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7109   -2.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6713   -3.3093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8463   -3.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614   -3.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914   -2.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562   -3.9768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8207   -4.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3056   -5.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -6.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496   -6.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646   -5.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0002   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8108   -1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5559   -0.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149   -0.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1698   -0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6178   -1.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4669    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8259    0.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8879   -0.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358   -0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5288   -0.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199   -0.8747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1547   -0.8136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.9787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9767   -3.8906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1261   -5.3117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4550   -6.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140   -6.9915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442   -5.6566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5153   -4.1493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -0.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9768   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4065   -1.8402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5710    1.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1849    1.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6948   -0.2735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5908   -1.4997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7219   -0.3720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  2 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$
538
  Mrv2314 01052423262D          

 86 90  0  0  0  0            999 V2000
   -5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -6.0770    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    0.3020    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5408   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8908   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3033   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3716   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7488   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0747   -4.3699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1763   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
 32 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 25 40  1  0  0  0  0
 40 41  2  0  0  0  0
 22 41  1  0  0  0  0
 21 42  1  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 42 47  4  0  0  0  0
 45 48  1  0  0  0  0
 43 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  2  0  0  0  0
 49 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  2 56  1  0  0  0  0
  2 57  1  0  0  0  0
  4 58  1  0  0  0  0
  4 59  1  0  0  0  0
  6 60  1  0  0  0  0
  8 61  1  0  0  0  0
  9 62  1  0  0  0  0
 10 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 65  1  0  0  0  0
 19 66  1  0  0  0  0
 20 67  1  0  0  0  0
 23 68  1  0  0  0  0
 24 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 29 75  1  0  0  0  0
 29 76  1  0  0  0  0
 31 77  1  0  0  0  0
 33 78  1  0  0  0  0
 34 79  1  0  0  0  0
 35 80  1  0  0  0  0
 40 81  1  0  0  0  0
 41 82  1  0  0  0  0
 44 83  1  0  0  0  0
 46 84  1  0  0  0  0
 47 85  1  0  0  0  0
 48 86  1  0  0  0  0
M  CHG  4  14  -1  26   1  39  -1  52  -1
M  END
$$$$
539
  Mrv2314 01052423262D          

 37 39  0  0  0  0            999 V2000
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.3645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    4.5375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 10 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  22  -1  27  -1
M  END
$$$$
540
  Mrv2314 01052423262D          

 44 45  0  0  0  0            999 V2000
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1994   -0.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  9 24  1  0  0  0  0
  7 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  8 31  1  0  0  0  0
 11 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
$$$$
541
  Mrv2314 01052423262D          

 41 41  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124    3.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334    3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    4.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    4.3164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6456   -1.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403   -0.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2511    0.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 12 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$
542
  Mrv2314 01052423262D          

 34 36  0  0  0  0            999 V2000
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    0.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.0809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5423   -0.0071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1479   -1.5603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -0.6336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512   -1.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  7 21  1  0  0  0  0
  4 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  6 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$
543
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -3.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -1.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074   -0.8748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377   -0.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4555    0.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858    1.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0804    0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286    1.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036    1.9397    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6430    0.6757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0609   -1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -1.0180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970   -2.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -2.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1271   -2.0052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1271   -4.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -3.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890   -4.6692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3295   -4.6692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212   -3.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7914   -4.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4722   -2.9838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -3.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352   -0.3964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8929    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323   -1.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1410    1.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$
544
  Mrv2314 01052423262D          

 29 29  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9118    0.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6201    0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -0.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -1.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -1.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  7 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
$$$$
545
  Mrv2314 01052423262D          

 46 47  0  0  0  0            999 V2000
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3692    1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9890    0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$
546
  Mrv2314 01052423262D          

 32 33  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  2 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$
547
  Mrv2314 01052423262D          

 41 43  0  0  1  0            999 V2000
    2.7205   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494   -6.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -5.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784   -6.7195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5784   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928   -6.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -7.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -7.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -8.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -9.2669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7382  -10.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5632  -10.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8182   -9.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9757  -10.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5632  -11.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7382  -11.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257  -10.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9757  -12.1950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3080   -6.0050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060   -7.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -7.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8052   -5.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0647   -5.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -7.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950   -8.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909   -8.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3753   -7.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -5.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -6.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -8.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6674   -8.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8007  -10.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257  -12.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5007  -10.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 19 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  6 31  1  6  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$
548
  Mrv2314 01052423262D          

 41 43  0  0  0  0            999 V2000
    2.7205   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494   -6.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -5.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928   -6.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -7.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -7.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -8.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -9.2669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7382  -10.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5632  -10.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8182   -9.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9757  -10.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5632  -11.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7382  -11.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257  -10.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9757  -12.1950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3080   -6.0050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060   -7.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -7.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8052   -5.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0647   -5.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -7.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950   -8.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909   -8.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3753   -7.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -5.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -6.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -8.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6674   -8.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8007  -10.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257  -12.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5007  -10.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 19 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$
549
  Mrv2314 01052423262D          

 41 43  0  0  1  0            999 V2000
    2.7205   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494   -6.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -5.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784   -6.7195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5784   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928   -6.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -6.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363   -6.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -7.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073   -7.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -7.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -8.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -9.2669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7382  -10.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5632  -10.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8182   -9.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9757  -10.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5632  -11.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7382  -11.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257  -10.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9757  -12.1950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3080   -6.0050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060   -7.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -7.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8052   -5.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0647   -5.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -7.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950   -8.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909   -8.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3753   -7.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -5.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -6.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -8.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6674   -8.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8007  -10.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257  -12.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5007  -10.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 19 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  6 31  1  1  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$
550
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
   -5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -6.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888   -7.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6571   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$
551
  Mrv2314 01052423262D          

 49 51  0  0  0  0            999 V2000
    1.0989   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.0107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4669   -1.1124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5686   -2.2747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -2.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777   -3.8661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0057   -4.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789   -3.7962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049   -2.2509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127   -2.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1558   -3.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725   -1.8012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -1.1231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752   -0.8178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
  2 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  3 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
 10 37  1  0  0  0  0
 14 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
$$$$
552
  Mrv2314 01052423262D          

 58 60  0  0  0  0            999 V2000
   -0.6078   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -1.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -2.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0598   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314   -0.7221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -0.4672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9721    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5852    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3698    0.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5414    1.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9283    1.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1437    1.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3260    1.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9391    0.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4975    2.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2821    2.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0668    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5371    1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0272    3.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136   -4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985   -5.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -5.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6546   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    0.3509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328   -0.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6729   -2.0811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919    0.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8874    1.1083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4137   -0.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9829   -0.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0998    2.4636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5306    1.9537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8118    3.4610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8514    2.9313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3217    1.8918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0729    1.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1625    0.9018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7146    1.7016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3999    2.6703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2921    3.5806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0919    4.0285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1358   -3.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -4.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630   -6.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039   -6.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -4.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080   -3.9972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136   -3.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6825   -2.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
  4 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  7 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
$$$$
553
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9118    0.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6201    0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -0.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -1.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -1.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    1.7468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    2.6459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8277    2.8247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$
554
  Mrv2314 01052423262D          

 24 24  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
555
  Mrv2314 01052423262D          

 63 66  0  0  1  0            999 V2000
    4.3228   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.1684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.6076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.1416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2939   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9830   -1.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1111   -0.6800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175   -1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1238   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9661   -1.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    1.0432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5266    0.2673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9948   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    1.1884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950   -1.4459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2944   -1.7352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1413   -0.8068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122   -1.4404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -1.0671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402   -1.4303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023    1.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    1.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    1.9377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977    0.0139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7684   -0.1815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4725   -2.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6302   -2.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751   -1.4763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0874   -0.9275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9201   -0.3186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3713   -0.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7476   -1.0422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475   -1.7352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5582   -2.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    2.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    2.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136    1.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496   -1.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492   -0.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0196   -0.7552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226   -1.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579   -1.2952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  6  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5 35  1  1  0  0  0
  6 36  1  6  0  0  0
  7 37  1  1  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  1  0  0  0
 13 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 57  1  1  0  0  0
 22 58  1  0  0  0  0
 23 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
M  END
$$$$
556
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
    2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    3.1152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.2902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837    1.8053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3688   -0.3142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6486    0.3532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    0.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9775   -1.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -0.7360    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5594   -0.0649    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032    2.0602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    3.1152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    6.4152    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5762    5.5902    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    5.5902    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    4.7652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    4.7652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    1.5082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748    2.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  3  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  9 21  1  0  0  0  0
  4 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  1 27  1  0  0  0  0
  3 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END
$$$$
557
  Mrv2314 01052423262D          

 41 44  0  0  0  0            999 V2000
    1.9339    2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -2.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -2.9332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179   -2.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179   -1.8532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -2.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    3.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9883    1.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840    2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7585    0.3751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045    1.0995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4505   -0.9852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556   -1.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016   -0.2982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -3.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505   -3.1632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -3.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -2.2657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -1.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  2 15  4  0  0  0  0
 10 15  4  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 18 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$
558
  Mrv2314 01052423262D          

 47 48  0  0  0  0            999 V2000
   -5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -7.3145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -5.8855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -6.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888   -7.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6571   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -8.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -8.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -7.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3745   -8.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 20 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$
559
  Mrv2314 01052423262D          

 47 48  0  0  1  0            999 V2000
   -5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -7.3145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -5.8855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -6.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888   -7.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6571   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -8.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -8.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -7.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3745   -8.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  8 37  1  1  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 20 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$
560
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -6.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -6.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295   -3.0451    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.9520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.5230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099   -2.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  0  0  0  0
  3 31  1  0  0  0  0
  8 32  1  0  0  0  0
 11 33  1  0  0  0  0
M  CHG  4  15   1  17  -1  23   1  25  -1
M  END
$$$$
561
  Mrv2314 01052423262D          

 34 36  0  0  0  0            999 V2000
    0.1067    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    4.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    4.4759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    4.4759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    1.5884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837    1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387    0.3188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637    0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186    1.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492    3.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2742    3.5404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5438    3.1279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5438    3.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591    4.2078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242    2.1114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    2.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    2.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    5.3009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2045    3.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5748    2.4614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991    1.3584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486   -0.3486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599    3.9937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4012    4.3640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3105    2.2592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2112    4.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870    2.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
  9 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  5 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 32  1  0  0  0  0
 20 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$
562
  Mrv2314 01052423262D          

 24 26  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650    1.9279    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650    1.1179    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3053   -0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503   -1.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704   -0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858   -0.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4011   -0.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899   -0.3570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5352   -2.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404   -2.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  6 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
$$$$
563
  Mrv2314 01052423262D          

 37 38  0  0  0  0            999 V2000
    0.6039   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -5.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9809   -0.1819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5940    0.3702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3084   -0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1369   -0.8493    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8158    0.6288    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3977   -0.4604    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7266    1.0469    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   -1.5189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279   -0.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -3.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -3.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -2.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604   -0.8290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
M  END
$$$$
564
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -7.3145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8440   -5.8855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8440   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 17 25  1  0  0  0  0
 11 26  1  0  0  0  0
  9 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
 10 35  1  0  0  0  0
 13 36  1  0  0  0  0
 19 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
$$$$
565
  Mrv2314 01052423262D          

 36 38  0  0  0  0            999 V2000
   -2.2841   -0.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5612   -0.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8555   -0.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326   -0.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154    0.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857    0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2145    0.9047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712    0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956    1.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972   -0.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8728   -0.9173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456   -1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6423   -1.4348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0283   -1.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -1.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371   -1.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060   -0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1571   -1.1582    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823    1.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816    0.1697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070   -0.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8865   -1.2761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1757    0.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160    0.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990    1.2468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6748    0.6701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -2.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5395   -2.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1795   -2.4874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4948    0.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066    1.7613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1501    2.5535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579    1.6969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
  7 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
  6 16  4  0  0  0  0
 13 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 12 20  4  0  0  0  0
 19 21  1  0  0  0  0
  9 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 20 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$
566
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5350   -2.9737    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1939   -2.7841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1129   -2.0137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -0.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468   -0.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  CHG  4  19   1  21  -1  26   1  28  -1
M  END
$$$$
567
  Mrv2314 01052423262D          

 31 33  0  0  0  0            999 V2000
    2.7845    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5159    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5159    3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    2.9519    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    1.5229    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720   -0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970    1.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    0.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7534    2.9519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    4.3808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784    4.3808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  2 10  4  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 14 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$
568
  Mrv2314 01052423262D          

 41 44  0  0  0  0            999 V2000
   -2.8748   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4623   -0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0498    0.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4623    1.3353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873    1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998    0.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998    2.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873    2.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4623    2.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0498    3.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248    3.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8123    2.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248    2.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0498    2.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0127    2.7643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2427    1.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976    3.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2427    4.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8123    4.1932    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873   -1.5225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126    0.2506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126    0.9911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4371    2.4201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4371    1.6796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4623    4.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8123    1.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    4.3265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264    4.3265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348    3.2248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1645    3.8661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1645    1.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348    2.3038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264    1.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    1.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  4 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 18 25  1  0  0  0  0
 11 26  1  0  0  0  0
  1 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 10 32  1  0  0  0  0
 13 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
$$$$
569
  Mrv2314 01052423262D          

 35 37  0  0  0  0            999 V2000
    3.4479    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.6577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    1.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358   -1.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -1.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -1.0941    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1286   -0.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -1.9191    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4479   -2.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527   -2.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691   -3.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808   -3.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -3.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596   -2.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548   -1.6824    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522    1.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643    2.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436    1.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371   -0.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371    0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746    1.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    0.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028   -1.6259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410   -2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739   -3.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972   -4.4133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876   -3.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  2  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
$$$$
570
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$
571
  Mrv2314 01052423262D          

 26 29  0  0  0  0            999 V2000
    3.1625    1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    1.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8654    2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    0.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9785    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4265    0.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6354    1.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834    2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7236    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    2.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3048    3.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511    3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164    3.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7145    0.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2244    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203    3.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1006    0.0627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6814    0.0627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9325    0.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9722    4.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649    4.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576    3.7633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$
572
  Mrv2314 01052423262D          

 23 25  0  0  0  0            999 V2000
    1.9339    1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213    2.2389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    2.2389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$
573
  Mrv2314 01052423262D          

 37 41  0  0  0  0            999 V2000
    4.7943    0.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5396    1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327    1.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1805    0.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4352   -0.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2421   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7676   -0.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7674   -1.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913    1.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2065    2.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    2.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3628    2.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8475    2.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5118    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986    3.5988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860    1.9197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0502    1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5350    0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3787   -0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060    0.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297    1.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9265    0.2405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6012    0.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0918    1.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1313    1.9195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4968   -1.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576    3.4268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4621    2.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270    2.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5191    3.6848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2674   -1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0429   -1.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550    1.7477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113    0.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 10 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  6 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END
$$$$
574
  Mrv2314 01052423262D          

 48 51  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7402    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7402   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 24 25  1  0  0  0  0
 13 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
 16 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
M  END
$$$$
575
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -5.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   -6.0770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -4.6480    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -5.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END
$$$$
576
  Mrv2314 01052423262D          

 56 59  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4546   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1783   -0.9723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5394   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1691   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2624   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 10 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 20 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
$$$$
577
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  4 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$
578
  Mrv2314 01052423262D          

 44 44  0  0  0  0            999 V2000
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -5.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -6.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2271   -5.5760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8427   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8469   -4.7791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 16 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$
579
  Mrv2314 01052423262D          

 37 39  0  0  0  0            999 V2000
    1.1759   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884   -0.6204    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -1.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6354   -2.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -3.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7154   -3.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703   -2.3429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8739   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550    0.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595    1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8739    0.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    1.0296    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    2.2374    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614   -0.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634   -2.0494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -1.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -0.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7562   -0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0490   -2.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -3.7949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695   -0.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595    1.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816    1.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    0.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    2.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0634    0.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6035   -0.1817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  2  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5 28  1  0  0  0  0
  7 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$
580
  Mrv2314 01052423262D          

 30 30  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280    2.9156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280    4.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    1.9616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
$$$$
581
  Mrv2314 01052423262D          

 39 40  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644   -2.9690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -3.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END
$$$$
582
  Mrv2314 01052423262D          

 51 53  0  0  1  0            999 V2000
   -7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5749   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1436   -3.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -3.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3864   -3.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6323   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3729   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5749   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 24 31  1  0  0  0  0
 30 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  1  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 15 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 22 48  1  0  0  0  0
 29 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END
$$$$
583
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6829    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  5 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 13 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  CHG  2  26   1  28  -1
M  END
$$$$
584
  Mrv2314 01052423262D          

 51 52  0  0  0  0            999 V2000
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -3.5135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  8 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 18 43  1  0  0  0  0
 21 44  1  0  0  0  0
 25 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$
585
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 13 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$
586
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 12 10  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$
587
  Mrv2314 01052423262D          

 34 34  0  0  0  0            999 V2000
   -0.6284   -3.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640   -2.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -2.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415   -2.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8146   -1.4901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378   -1.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971   -0.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9109    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783    0.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821   -4.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2928   -4.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253   -3.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585   -2.4660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7359   -3.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.9975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8606   -2.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0951   -1.9945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124   -1.5152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237    1.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231   -0.0787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270    1.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6645    0.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    1.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309    1.4724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3369    0.6434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$
588
  Mrv2314 01052423262D          

 28 27  0  0  0  0            999 V2000
    3.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.1434    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    1.4897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7803    1.4897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157   -2.1911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0969   -1.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545   -0.9267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  4 21  1  0  0  0  0
  7 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
$$$$
589
  Mrv2314 01052423262D          

 88 91  0  0  1  0            999 V2000
   -2.8109   -4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8158   -3.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1514   -4.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719   -4.5195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5239   -5.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4151   -2.3645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5901   -0.9355    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006   -2.7770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8756   -1.3480    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5555   -3.8423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4783   -4.6823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032   -5.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5989   -2.9374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0120   -1.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5008   -1.9581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -4.1205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570   -4.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030   -3.7515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -5.4302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518   -5.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6762   -5.2897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8308   -5.8984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0825   -0.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712   -0.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6795   -0.7502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0393    0.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433   -3.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320   -3.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -1.5322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639   -3.2993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520   -2.8723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -1.6652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1783   -1.2382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957   -3.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4876   -3.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2021   -1.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7102   -1.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3223   -3.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0100   -2.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7245   -1.6655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0368   -1.2383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535   -3.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3454   -3.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1802   -3.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8679   -2.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7114   -3.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2033   -3.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  6  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
  5 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 35 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  4 47  1  0  0  0  0
  4 48  1  0  0  0  0
  5 49  1  1  0  0  0
  6 50  1  6  0  0  0
  7 51  1  1  0  0  0
  8 52  1  0  0  0  0
  8 53  1  0  0  0  0
  9 54  1  0  0  0  0
  9 55  1  0  0  0  0
 10 56  1  1  0  0  0
 11 57  1  0  0  0  0
 12 58  1  6  0  0  0
 13 59  1  0  0  0  0
 13 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 62  1  0  0  0  0
 19 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 24 71  1  0  0  0  0
 24 72  1  0  0  0  0
 25 73  1  0  0  0  0
 25 74  1  0  0  0  0
 26 75  1  0  0  0  0
 26 76  1  0  0  0  0
 27 77  1  0  0  0  0
 27 78  1  0  0  0  0
 28 79  1  0  0  0  0
 28 80  1  0  0  0  0
 29 81  1  0  0  0  0
 29 82  1  0  0  0  0
 32 83  1  0  0  0  0
 32 84  1  0  0  0  0
 33 85  1  0  0  0  0
 33 86  1  0  0  0  0
 34 87  1  0  0  0  0
 34 88  1  0  0  0  0
M  END
$$$$
590
  Mrv2314 01052423262D          

  9  9  0  0  0  0            999 V2000
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
$$$$
591
  Mrv2314 01052423262D          

 32 33  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -5.1657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -5.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177   -6.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2328   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877   -7.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232   -6.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383   -5.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -4.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890   -4.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5944   -4.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726   -7.8354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575   -8.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7401   -7.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4052   -8.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -8.0079    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -2.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231   -2.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960   -3.6583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520   -4.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -5.6506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382   -6.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437   -6.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9299   -4.1533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4914   -9.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -7.9848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 10 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  9 28  1  0  0  0  0
 12 29  1  0  0  0  0
 16 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$
592
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
  9 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
593
  Mrv2314 01052423262D          

 40 40  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -1.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138   -1.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9163   -0.3523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2105    0.5161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3689   -2.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END
$$$$
594
  Mrv2314 01052423262D          

 30 32  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  8 25  1  0  0  0  0
 11 26  1  0  0  0  0
 13 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$
595
  Mrv2314 01052423262D          

 58 60  0  0  0  0            999 V2000
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3974   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 11 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
M  CHG  1  15   1
M  END
$$$$
596
  Mrv2314 01052423262D          

 34 33  0  0  0  0            999 V2000
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105   -0.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7518    0.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1895    1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    1.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1497   -0.3442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1497   -1.0847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
  2 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$
597
  Mrv2314 01052423262D          

 47 51  0  0  1  0            999 V2000
    4.9810    1.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4454    0.7489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6477    0.9592    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9131    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9585   -0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5860   -0.8936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8104    0.0351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0664    0.3377    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3869   -0.1726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7458   -0.9757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2412   -1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -0.7535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7282   -0.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9631    0.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515    0.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    0.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2486   -0.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9604    1.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865    1.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1988    1.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -0.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785   -0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6030   -0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    1.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085    0.8409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165    2.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3534    1.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0464    1.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    0.7119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202   -0.7263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920    0.6769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4730   -0.3802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1592   -1.6896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8868   -2.4298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745   -2.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6459   -1.9122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268   -2.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979   -1.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0602   -0.0183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571    1.3555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4658    0.1229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7230    1.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626    0.8977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280   -0.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573    2.1700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    2.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  6  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  6 22  1  1  0  0  0
 22 23  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  2  0  0  0  0
  3 25  1  6  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  1  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7 32  1  1  0  0  0
  8 33  1  6  0  0  0
 10 34  1  1  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 21 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$
598
  Mrv2314 01052423262D          

 68 70  0  0  0  0            999 V2000
   -9.0413   -3.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5564   -4.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7359   -4.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3234   -3.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5165   -3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1839   -4.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3554   -5.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -6.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6590   -2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3739   -3.1938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5263   -3.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7088   -4.1637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1945   -4.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5180   -5.1703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7160   -3.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2343   -2.9418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6571   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -5.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   -5.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011   -8.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -7.9553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794   -8.6617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -6.6113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2996   -5.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116   -5.3634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8350   -2.7510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3996   -2.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2957   -2.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 32  1  0  0  0  0
 30 33  1  0  0  0  0
  4 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 23 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
M  END
$$$$
599
  Mrv2314 01052423262D          

 58 60  0  0  0  0            999 V2000
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3046   -6.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1296   -5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6841   -9.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3138   -8.3857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3138  -10.5893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6841   -9.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7757  -11.0497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5163  -11.0497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6079   -9.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9782  -10.5893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6563   -8.7928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6563   -9.3572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  3 35  1  0  0  0  0
  6 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 22 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
$$$$
600
  Mrv2314 01052423262D          

 61 63  0  0  0  0            999 V2000
   -5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -4.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -6.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8908   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5408   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6571   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -5.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   -5.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423   -6.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6170   -6.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340   -8.2310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5223   -7.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   -8.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -8.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  5 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 24 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
M  END
$$$$
601
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
   -1.1908    2.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763    2.1263    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8888    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0638    2.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    3.2533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9053    2.9513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033    1.8243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433    0.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753    0.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0709    1.3042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4384    2.1863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7331    3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0439    3.6587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8913    1.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0362    1.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0275    0.6488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6513   -0.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2963   -0.3392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
602
  Mrv2314 01052423262D          

 47 50  0  0  1  0            999 V2000
   -0.3396   -5.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5945   -4.3876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5364   -3.7982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4717   -4.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8443   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139   -4.4644    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4492   -3.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -3.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006   -3.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -2.3215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -2.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -5.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2503   -5.9924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3380   -5.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3210   -3.5433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961   -4.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796   -5.2708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691   -5.1751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4468   -5.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462   -5.3928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785   -4.8915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979   -4.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2737   -3.6132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9571   -2.9918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331   -3.8908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294   -2.3464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6507   -2.6630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752   -1.7084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684    1.0091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288    1.5387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992    0.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 14 22  4  0  0  0  0
 16 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  3 27  1  1  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  1  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$
603
  Mrv2314 01052423262D          

 49 51  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534   -1.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5151   -2.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024   -1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4653   -0.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6408   -0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7269   -1.5348    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661   -0.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8816   -3.1234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523   -2.9917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8526   -0.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0495   -0.1460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  6 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$
604
  Mrv2314 01052423262D          

 43 44  0  0  0  0            999 V2000
   -2.0367   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -2.9491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -4.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -4.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041   -3.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341   -4.8861    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1393   -4.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3188   -4.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4748   -5.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9899   -6.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846   -3.1791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -3.9637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8396   -2.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.9242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715   -2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2416   -1.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561   -1.8622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3277   -1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -0.5032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8861    0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6707    0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2838    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123   -0.8003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684    0.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2399    1.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    0.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2117   -2.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.2991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8617   -2.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6574   -6.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5050   -6.9746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225   -5.8223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131   -3.4762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692   -2.4143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422    1.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0469    0.8970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4115    1.8755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    1.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2515    1.4912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    2.4697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    1.8343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 15 35  1  0  0  0  0
 18 36  1  0  0  0  0
 22 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
$$$$
605
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -4.8395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -3.4105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9280   -6.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$
606
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
    0.5897    0.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3075   -0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -1.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -2.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -2.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -3.7028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -2.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -1.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911   -1.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3681   -0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    0.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8458    0.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252   -0.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1676   -0.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993    0.8955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    0.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2296    0.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4725   -0.8645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1129   -1.3057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911   -2.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630   -0.5248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033    0.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441    1.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503    1.8624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6705    0.5029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3761    1.1554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234   -0.9589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -0.3219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779   -1.3764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0041    0.0092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 24  1  0  0  0  0
  9 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$
607
  Mrv2314 01052423262D          

 22 24  0  0  0  0            999 V2000
    2.5858    1.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0652    0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749   -0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6799    0.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866    1.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    1.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3702    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3635    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2337    0.2882    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    0.9084    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0373   -1.0686    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852   -0.2075    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3717    1.4756    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0715    2.3146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7975   -0.9277    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8738    2.0506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8902    0.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -0.6213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4301   -0.5512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8249    1.8734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
  7 15  1  0  0  0  0
  6 16  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
M  END
$$$$
608
  Mrv2314 01052423262D          

 23 26  0  0  1  0            999 V2000
    1.7450    0.4305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5697    1.2367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3988    1.6469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0144    1.0977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6824    0.3425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5024    0.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    2.5409    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9004    1.4824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2899    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4652    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510   -0.1299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2772    0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   -0.1312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2051    1.0631    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3387   -1.0148    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827   -0.4584    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396    1.1841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6114    2.3053    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3768   -0.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253    2.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1563    1.9737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    1.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050   -0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  1  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  1  0  0  0
 10 16  1  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  1  0  0  0
  1 19  1  1  0  0  0
  2 20  1  1  0  0  0
  3 21  1  6  0  0  0
  4 22  1  6  0  0  0
  5 23  1  6  0  0  0
M  END
$$$$
609
  Mrv2314 01052423262D          

 11 11  0  0  0  0            999 V2000
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    1.8330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9728    1.8330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
$$$$
610
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2295   -3.0451    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
 11 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
  1 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 13 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
$$$$
611
  Mrv2314 01052423262D          

 37 38  0  0  0  0            999 V2000
   -0.8866   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -1.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6354   -2.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -3.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7154   -3.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703   -2.3429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    2.2374    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7634    0.8085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8739   -0.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866    0.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7116   -0.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866   -1.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277   -0.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136    0.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -1.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029   -2.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239   -2.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652   -1.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -0.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7562   -0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0217   -2.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -3.7949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    2.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0634    0.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6035   -0.1817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1521    0.5687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 13 19  1  0  0  0  0
  5 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  8 32  1  0  0  0  0
 10 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$
612
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7972    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    3.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    3.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$
613
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -1.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609   -1.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -0.7282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8277    0.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670   -2.2258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2518   -2.3749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$
614
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -3.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -2.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465    0.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    0.2195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825   -0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -2.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5967   -1.9800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986   -3.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283   -3.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    0.8411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1190    1.8142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231    1.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932    1.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0259    1.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9082    0.3128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3844   -0.7693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.1391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  5 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$
615
  Mrv2314 01052423262D          

 34 34  0  0  0  0            999 V2000
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$
616
  Mrv2314 01052423262D          

 44 46  0  0  1  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484   -2.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5330   -2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045   -1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204   -0.7027    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206   -0.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110   -0.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -2.8265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222   -1.2125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9573   -3.1147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2329   -2.9608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3287   -2.2798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332   -2.8301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2913   -0.6747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5201   -1.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8826    0.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -0.0585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7989   -0.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356   -0.1331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3327    0.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    0.4014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773   -2.3166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6081   -2.8265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
  3 17  1  6  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  6  0  0  0
  3 28  1  1  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$
617
  Mrv2314 01052423262D          

 59 61  0  0  0  0            999 V2000
   -1.9592   -1.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -9.4875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3033   -9.7895    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283   -8.3605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -8.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -8.5520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -7.1230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986   -1.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -1.3127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4895   -1.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912   -2.3733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160   -3.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1424   -1.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026   -1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236   -1.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
  2 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 35 57  1  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
M  END
$$$$
618
  Mrv2314 01052423262D          

 25 26  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -2.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.9355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2611    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  1 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
  5 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  4 21  1  0  0  0  0
  7 22  1  0  0  0  0
 12 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$
619
  Mrv2314 01052423262D          

 56 59  0  0  1  0            999 V2000
    4.5466   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    0.2673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3587   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0148    0.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7345   -0.6539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9224   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -0.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6708    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0195    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -0.1416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8051   -0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7008   -1.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -0.2798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446   -0.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -1.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -1.3208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0784   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3225   -0.7889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9683   -0.9193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7297   -0.8251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796   -0.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1996    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1741    2.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776    2.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.4298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718   -1.4135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099   -1.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.4085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    1.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    1.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.6898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0442   -0.7793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4308   -0.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6437   -1.7582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998   -1.7328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2965   -0.5343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550   -1.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043   -2.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  6  0  0  0
 15 25  1  1  0  0  0
 13 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  7 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  1  0  0  0
 12 40  1  6  0  0  0
 13 41  1  6  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 16 44  1  6  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END
$$$$
620
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
    0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5872    3.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4084    2.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5093    2.5378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4084    2.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  2 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
$$$$
621
  Mrv2314 01052423262D          

 33 33  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210    0.7435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$
622
  Mrv2314 01052423262D          

 39 39  0  0  0  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -3.8834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -3.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259   -3.8303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -4.1125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721   -4.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1860   -4.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0999   -3.1603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
$$$$
623
  Mrv2314 01052423262D          

 58 60  0  0  1  0            999 V2000
    2.6048   -2.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -2.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -1.3187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1759   -0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -0.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614   -1.3187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530   -0.9062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9347   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374   -1.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0532   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3546   -0.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8402   -0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119    0.3547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1263    0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8249    1.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0091    1.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947    1.2456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7962    0.4776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766    0.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8354    0.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224    2.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.9062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0338   -0.9062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -2.9687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -3.3812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -2.9687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614   -2.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614   -2.9687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -3.3812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -1.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614   -0.4937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675   -0.4937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1779   -2.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4699   -2.0526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9360   -2.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5676   -2.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1704   -0.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1416    0.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1472   -0.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9105    1.2559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001    0.5237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9951    2.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5741    2.1132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3951    2.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844    2.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196    0.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4382    2.2595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027   -2.7271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443   -2.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027   -1.5603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4 38  1  6  0  0  0
  7 39  1  0  0  0  0
  8 40  1  6  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 16 47  1  6  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  6  0  0  0
 26 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
M  END
$$$$
624
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    1.7309   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -2.1730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5415   -1.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -0.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2139   -1.2798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854   -2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -6.4599    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -3.6020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.4586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -2.8696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309   -2.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487   -2.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3484   -1.2478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146   -0.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -1.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809   -5.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -6.4599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -5.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 13 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$
625
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
   -0.6445   -0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174    0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4582   -5.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431   -5.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -4.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -4.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580   -3.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515   -0.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   -1.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093   -0.2891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305    0.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428    0.8953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516   -2.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761   -6.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9996   -5.6997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6106   -5.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4280   -6.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2757   -6.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764   -3.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457   -1.4007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.7455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7591    0.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  4 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  7 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$
626
  Mrv2314 01052423262D          

 37 38  0  0  0  0            999 V2000
   -1.6377   -0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884    0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    1.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526    0.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    2.9812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3095    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995    4.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444    4.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8541    3.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595    2.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052    0.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226   -1.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703   -0.9581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088    1.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -0.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119    1.5291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    4.8937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5155    4.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    3.4714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5245    4.9036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    5.4831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6946    5.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140    5.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    3.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632    3.7885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    4.7829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950    3.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  7 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$
627
  Mrv2314 01052423262D          

 34 35  0  0  0  0            999 V2000
   -0.6445   -0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174    0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -4.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -4.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580   -3.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515   -0.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   -1.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093   -0.2891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305    0.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428    0.8953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516   -2.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764   -3.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457   -1.4007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.7455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7591    0.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  4 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  7 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$
628
  Mrv2314 01052423262D          

 40 42  0  0  0  0            999 V2000
   -1.6028   -1.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8577   -0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057    0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2288    1.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    0.8205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537   -0.3356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9731    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130   -0.9644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305   -1.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3023   -1.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508   -0.5071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2884    0.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2752    0.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3598   -0.6084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269    1.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2307    1.1221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9399    1.5868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842    1.1808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 10 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  4 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  7 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
$$$$
629
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
   -1.3022   -1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884    0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    1.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526    0.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    2.9812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3095    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995    4.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444    4.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8541    3.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595    2.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0558   -1.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666   -1.9806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5485   -0.8913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322   -0.0279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4096   -0.7644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088    1.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -0.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119    1.5291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    4.8937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5155    4.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    3.4714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5245    4.9036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    5.4831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6946    5.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140    5.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    3.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632    3.7885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    4.7829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950    3.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  4 27  1  0  0  0  0
  8 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$
630
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393   -3.2361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188   -3.1499    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1661   -3.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0168   -2.3962    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -5.4109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275   -5.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425   -4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919   -6.2508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -0.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5166   -1.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772   -1.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -1.5291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060   -3.5273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286   -2.7908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040   -4.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -4.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932   -3.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  CHG  2   6   1   8  -1
M  END
$$$$
631
  Mrv2314 01052423262D          

 45 47  0  0  0  0            999 V2000
   -0.5463   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -3.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -3.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5971   -3.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260   -3.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077   -2.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289   -1.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172   -1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1008   -2.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974   -3.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3849   -4.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5691   -4.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856   -5.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5972   -5.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   -4.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644   -3.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338   -1.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608   -2.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588   -3.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569   -3.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -4.7467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -3.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268   -3.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673   -3.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695   -1.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -0.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5220   -0.9485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8891   -2.5571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119   -4.0556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5654   -3.3417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -5.1733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0994   -4.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9903   -5.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -6.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041   -5.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630   -4.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  7 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END
$$$$
632
  Mrv2314 01052423262D          

 57 60  0  0  1  0            999 V2000
   -3.7807    4.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3682    3.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432    3.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307    4.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057    4.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932    3.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    3.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057    2.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307    2.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432    4.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307    5.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0662    4.5940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1932    4.8959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4952    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0575    3.0137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    2.6434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932    4.8959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1959    4.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    1.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4871    1.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325    1.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432    2.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067    0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7210    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1266    5.4793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182    4.8959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3338    5.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307    6.4354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    5.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 15 25  4  0  0  0  0
 23 26  1  0  0  0  0
 14 27  1  0  0  0  0
  4 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  5 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  1  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 21 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END
$$$$
633
  Mrv2314 01052423262D          

 92 96  0  0  1  0            999 V2000
    1.2802   -0.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5822    0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072   -0.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091    0.3864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236   -0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381    0.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236   -0.8511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7091   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091   -2.0886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236   -2.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381   -2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381   -1.2636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525   -0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -1.2636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2815   -0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960   -1.2636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9960   -2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7104   -2.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249   -2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1394   -2.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1394   -3.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249   -3.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7104   -3.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7104   -0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7104   -0.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249   -1.2636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1394   -0.8511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2256   -0.0307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0326    0.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4451   -0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2521   -0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5070   -1.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9550   -2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1480   -1.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8930   -1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125    0.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -2.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -2.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -3.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091   -3.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091   -4.5636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -4.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802   -4.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802   -3.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8677    0.2758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -0.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927   -1.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    0.7960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957    1.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    1.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2196   -0.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.1086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1936   -1.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    1.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381   -0.4386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2394   -1.8956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5216   -1.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533   -3.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7939   -3.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5914   -2.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617   -2.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4845   -0.3208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815   -1.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045   -0.4539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3164   -0.0269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7104   -1.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3640   -2.6189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8527   -2.9011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1394   -1.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9644   -2.5011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8538   -3.7386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249   -4.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3208   -4.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249   -0.4386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8538   -0.4386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4391    0.7662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8285    0.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667    0.8424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8041   -0.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3140   -1.7013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099   -2.9275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3230   -1.9633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    0.7034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3597   -2.8872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413   -1.8119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711   -2.4532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970   -3.9835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -5.8011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -4.9761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -3.3261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 17 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 28 36  1  6  0  0  0
 31 36  4  0  0  0  0
 29 37  1  6  0  0  0
 15 38  1  0  0  0  0
 10 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 40 45  4  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  3 51  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  4 54  1  0  0  0  0
  5 55  1  0  0  0  0
  8 56  1  6  0  0  0
  9 57  1  0  0  0  0
  9 58  1  0  0  0  0
 11 59  1  0  0  0  0
 11 60  1  0  0  0  0
 12 61  1  0  0  0  0
 12 62  1  0  0  0  0
 14 63  1  0  0  0  0
 14 64  1  0  0  0  0
 15 65  1  1  0  0  0
 16 66  1  0  0  0  0
 16 67  1  0  0  0  0
 17 68  1  1  0  0  0
 18 69  1  0  0  0  0
 18 70  1  0  0  0  0
 20 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 73  1  0  0  0  0
 23 74  1  0  0  0  0
 24 75  1  0  0  0  0
 27 76  1  0  0  0  0
 28 77  1  1  0  0  0
 29 78  1  1  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
 32 81  1  0  0  0  0
 33 82  1  0  0  0  0
 34 83  1  0  0  0  0
 35 84  1  0  0  0  0
 37 85  1  0  0  0  0
 38 86  1  0  0  0  0
 39 87  1  0  0  0  0
 39 88  1  0  0  0  0
 41 89  1  0  0  0  0
 43 90  1  0  0  0  0
 44 91  1  0  0  0  0
 45 92  1  0  0  0  0
M  END
$$$$
634
  Mrv2314 01052423262D          

 53 56  0  0  1  0            999 V2000
   -0.2759   -3.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044   -3.1916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   -2.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021   -2.8945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460   -1.8326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1215   -2.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889   -1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431   -0.4349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -0.6064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050   -1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530   -2.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021    0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9471    0.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0091   -0.1648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5611    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3681    0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9201    0.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6652    1.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8582    1.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3061    1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2172    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9622    3.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7073    3.8568    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7469    3.3271    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776    2.8173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2640   -0.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0710   -1.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120   -1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9669   -2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479   -1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5959   -2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549   -1.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0829   -3.8270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475   -4.8055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310   -4.1701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -2.7817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215   -1.4925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1599   -2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980   -1.2195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6230   -0.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7271    0.7183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6032    2.6306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    1.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6588   -1.8978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5800   -2.8992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924   -3.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    0.3498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450    0.0067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8508   -2.7887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  8 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
  7 35  4  0  0  0  0
 34 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 35 53  1  0  0  0  0
M  END
$$$$
635
  Mrv2314 01052423262D          

 56 59  0  0  1  0            999 V2000
   -1.4907   -6.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2977   -6.2826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7102   -5.5681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1582   -4.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -5.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -4.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -5.2906    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7389   -4.8781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7389   -4.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -3.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -4.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -3.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -2.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534   -5.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -4.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8823   -5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686   -6.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7755   -6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880   -5.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360   -4.9550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130   -5.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4255   -6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130   -6.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880   -6.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4255   -7.7115    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -6.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5307   -5.4819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -7.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -6.8863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902   -6.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785   -6.9237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0059   -4.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6418   -4.3116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2193   -4.1323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -4.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534   -4.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709   -3.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822   -3.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -3.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1229   -3.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8187   -2.1021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -1.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140   -2.0884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534   -6.1156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555   -6.6631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8075   -4.1480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4255   -4.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2505   -6.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7755   -7.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801   -6.6163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2887   -5.8075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2943   -7.5299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 22 28  4  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  0  0  0
  3 31  1  1  0  0  0
  2 32  1  1  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  6  0  0  0
  3 36  1  6  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  8 39  1  6  0  0  0
  9 40  1  1  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 21 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 28 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
$$$$
636
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -9.4875    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -8.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   -7.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 22 37  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  CHG  1  13  -1
M  END
$$$$
637
  Mrv2314 01052423262D          

 47 49  0  0  0  0            999 V2000
    1.3222   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605   -1.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150   -1.3283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8064   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340   -0.6487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5152   -0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949   -0.5231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108   -1.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188   -3.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -3.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -3.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -2.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372   -2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0168   -2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426   -2.8911    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7347    0.6529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    0.3509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9097   -0.7761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    0.3509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9647   -0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5762   -0.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9647    0.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   -0.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620   -2.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5277   -1.7352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2606   -3.3718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8699   -3.2783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094   -2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798   -2.7520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3027   -2.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170   -1.5594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928    0.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231   -1.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009   -4.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774   -3.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694   -4.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4715   -4.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174   -2.0417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433   -1.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
  8 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 11 39  1  0  0  0  0
 13 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
$$$$
638
  Mrv2314 01052423262D          

 60 64  0  0  0  0            999 V2000
   -1.1624    3.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5812    2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    1.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7545    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7545   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886   -0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9285    0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610    1.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6821    0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3496    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1033    0.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1895    1.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5221    2.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7684    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1009    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1009    2.9877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163    3.2427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8314    2.5752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163    1.9078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3419    3.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762    4.2563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829    3.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4765    1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    2.9509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603    1.7687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    2.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062    0.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7362    0.4878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794    1.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689    1.8838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3561    0.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9007    1.5665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9007   -0.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3561   -0.1148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689   -1.0588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794   -0.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586   -1.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221   -1.1794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023   -1.4548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5097   -0.7837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072    1.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1748    0.1862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2633   -0.4481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7707    0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9432    1.8640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    2.8338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7160    3.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 28 32  4  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END
$$$$
639
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
   -1.5757    4.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    2.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    1.6373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2658    3.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908    3.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1632    4.7163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    4.4143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882    3.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0376    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4078    4.2786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    3.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1388    3.8899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888    1.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9158    1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178    2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8007   -0.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1566   -1.5513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0393   -1.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8049   -0.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -1.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7941   -2.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833   -1.9119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$
640
  Mrv2314 01052423262D          

 24 24  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
641
  Mrv2314 01052423262D          

 46 46  0  0  0  0            999 V2000
    2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.1895    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8654    0.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    1.6294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6840    1.9141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9037    2.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076    2.7677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714    1.6219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714    0.0281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
$$$$
642
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$
643
  Mrv2314 01052423262D          

 45 45  0  0  0  0            999 V2000
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -1.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -1.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762   -2.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066   -1.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -1.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -8.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -8.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -7.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -6.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -8.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
 10 37  1  0  0  0  0
 12 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
M  CHG  4  14   1  16  -1  20   1  22  -1
M  END
$$$$
644
  Mrv2314 01052423262D          

 12 11  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406   -0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
$$$$
645
  Mrv2314 01052423262D          

 32 32  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311   -4.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114   -3.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402   -3.5461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2894   -4.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  8 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$
646
  Mrv2314 01052423262D          

 33 33  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$
647
  Mrv2314 01052423262D          

 48 49  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -2.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -4.4120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -5.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876   -5.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -5.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177   -6.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2328   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877   -7.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232   -6.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383   -5.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -4.9932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890   -4.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382   -6.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738   -7.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -0.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -0.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -1.3334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0201   -2.2329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194   -2.4123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444   -3.1413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4855   -2.4632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -2.9737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960   -3.6583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -8.0079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726   -7.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437   -6.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7503   -3.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820   -4.0983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0466   -5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1201   -7.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2093   -8.1804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274   -7.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$
648
  Mrv2314 01052423262D          

 36 38  0  0  0  0            999 V2000
    0.7397   -1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5681   -0.5870    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3751   -0.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2388   -0.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3880    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5595    1.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535    1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8382    1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0097    0.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4513    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644    2.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8992    2.7441    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    1.5179    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011   -0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296   -0.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7857    0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4532   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1206    0.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    0.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4532   -1.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407   -1.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657   -1.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0673   -1.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9112   -2.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466   -1.2225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442    1.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180    2.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    0.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3195    1.7389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2501   -0.9186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704   -2.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2171   -1.7986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6893   -1.7986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359   -2.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
 10 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
$$$$
649
  Mrv2314 01052423262D          

 48 50  0  0  0  0            999 V2000
    4.7079    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2954    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5070    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1184    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5070    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3536    1.5214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1121    0.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286    0.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7243    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 15 23  4  0  0  0  0
  3 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  4 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$
650
  Mrv2314 01052423262D          

 51 54  0  0  0  0            999 V2000
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6053    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6815   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701    2.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 18 28  1  0  0  0  0
 28 29  2  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
$$$$
651
  Mrv2314 01052423262D          

 64 68  0  0  1  0            999 V2000
    1.0590    6.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    5.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    6.2779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    5.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    4.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    3.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    3.3904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    3.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    4.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    2.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    2.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    2.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    0.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590   -1.1471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7264   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465   -2.4167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3915   -1.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -3.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -3.7281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -3.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791   -4.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873   -4.8162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053   -4.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1036   -2.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813   -3.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9314   -3.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039   -3.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5262   -2.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761   -2.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540   -3.7904    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4912   -4.0593    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    6.9924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3445    6.6904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465    5.5634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115    4.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    5.3172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    3.1136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115    3.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354    3.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056    3.1136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056    5.3172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354    4.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    2.5654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    0.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3445    0.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3445    2.5654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056    0.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354   -0.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389   -1.7753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995   -1.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752   -3.1873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1511   -2.6693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302   -2.8483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3041   -4.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8356   -5.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090   -4.7462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1987   -2.1477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6985   -1.4609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 24 28  4  0  0  0  0
 21 29  1  6  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 32 35  1  0  0  0  0
 30 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  6  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 28 61  1  0  0  0  0
 31 62  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END
$$$$
652
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  2 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  4 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$
653
  Mrv2314 01052423262D          

 37 40  0  0  1  0            999 V2000
    0.1234    0.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895    1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0198    1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377    2.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680    3.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0804    3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626    2.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323    1.7527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341    1.2409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4767    0.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    1.9371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651    2.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4254   -0.0438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0654   -0.6817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252    2.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858    4.0784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107    3.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1751    2.2414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  1  0  0  0
 15 16  3  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 32  1  0  0  0  0
 14 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$
654
  Mrv2314 01052423262D          

 48 49  0  0  0  0            999 V2000
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970   -4.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -4.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -4.8260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 15 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$
655
  Mrv2314 01052423262D          

 46 47  0  0  0  0            999 V2000
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8427   -5.2520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177   -3.8230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9849   -5.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -6.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -5.0378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -5.0378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -7.5959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -7.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -6.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 19 28  1  0  0  0  0
 12 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 43  1  0  0  0  0
 20 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END
$$$$
656
  Mrv2314 01052423262D          

 55 55  0  0  0  0            999 V2000
    1.8529   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2818   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7108   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4253   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1397   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5687   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2831   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4266   -8.5585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1082   -8.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8965   -8.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1980   -9.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7855   -9.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9697   -9.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3649   -9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5969   -9.6826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -7.8440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384   -8.9710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2654   -9.2730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1971   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9116   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3666   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3405   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0810   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7955   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0550   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7695   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5100   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2245   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4839   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1984   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9389   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6534   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9129   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6274   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3679   -9.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0823   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3418   -7.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3514   -7.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6435   -7.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645   -8.0355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1397   -7.5486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9124   -9.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9659   -8.8035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9084  -10.6351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4999  -10.2319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4085  -10.5471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0926  -10.7581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
M  END
$$$$
657
  Mrv2314 01052423262D          

 54 54  0  0  0  0            999 V2000
    4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -8.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -9.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6584   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9179   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6323   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3729   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0873   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3468   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0613   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8018   -9.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5163   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7757   -7.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894  -11.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 18 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 17 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  END
$$$$
658
  Mrv2314 01052423262D          

 51 53  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 10 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$
659
  Mrv2314 01052423262D          

 46 49  0  0  1  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  5 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 14 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  1  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  8 33  1  0  0  0  0
 13 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
$$$$
661
  Mrv2314 01052423262D          

 45 48  0  0  1  0            999 V2000
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.5428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.8841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454   -1.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2776   -0.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -0.6119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7583    0.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  6 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
  6 21  1  0  0  0  0
 16 21  4  0  0  0  0
  4 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  6  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$
662
  Mrv2314 01052423262D          

 35 36  0  0  1  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
  4 18  1  0  0  0  0
  2 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
 10 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  1  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
$$$$
663
  Mrv2314 01052423262D          

 39 39  0  0  0  0            999 V2000
    2.0329   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -1.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -1.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -0.5927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059   -0.2225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059   -3.2986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -2.9283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707   -2.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4495   -3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486   -3.2372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7847   -1.3072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1434   -0.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -5.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -5.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -4.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -4.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  9 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$
665
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  5 19  1  0  0  0  0
  7 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$
666
  Mrv2314 01052423262D          

 50 53  0  0  0  0            999 V2000
    2.3747    5.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    4.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    4.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    3.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    4.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    2.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    0.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120   -0.7555    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872    5.9965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603    5.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9622    4.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9128    4.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    5.5588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    2.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9715    3.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9715    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    1.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -2.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8612   -1.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462   -1.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -2.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6796    1.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    1.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359    3.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    2.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 10 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 12 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 11 24  4  0  0  0  0
 22 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$
667
  Mrv2314 01052423262D          

 31 33  0  0  0  0            999 V2000
    2.4760    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808    3.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691    2.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527    2.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596    1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    0.4742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358   -1.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502   -1.6575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -1.1960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    0.5559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6188   -0.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    1.7800    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6876    2.7527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972    3.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739    3.3886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    1.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2327   -0.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -2.0003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028    1.0876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -1.0941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3294    0.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
  9 20  1  0  0  0  0
  4 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  6 25  1  0  0  0  0
  9 26  1  0  0  0  0
 12 27  1  0  0  0  0
 15 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
$$$$
668
  Mrv2314 01052423262D          

 53 55  0  0  0  0            999 V2000
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4179   -3.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982   -2.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8944   -4.4721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002   -2.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114   -2.3572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4715   -1.9236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9576   -1.6561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312   -5.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
M  END
$$$$
669
  Mrv2314 01052423262D          

 65 67  0  0  1  0            999 V2000
   -4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0610    0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4412    1.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    1.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    0.9553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323    2.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    2.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120    3.7083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935    4.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6331    3.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6331    3.0178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834   -3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 21 27  1  0  0  0  0
 23 28  1  0  0  0  0
 10 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  1  1  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  8 39  1  1  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  1  0  0  0
 11 43  1  0  0  0  0
 13 44  1  1  0  0  0
 14 45  1  6  0  0  0
 15 46  1  6  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 56  1  6  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 59  1  1  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
M  END
$$$$
670
  Mrv2314 01052423262D          

 55 57  0  0  0  0            999 V2000
   -2.3310   -4.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441   -4.9545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6116   -6.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1636   -5.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7511   -4.7830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9841   -5.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4690   -4.9163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790   -5.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7179   -3.8505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -3.7894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6222   -6.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9457   -6.4078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1334   -4.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8195   -5.2190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712   -7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0825   -6.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -5.0378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -5.0378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -6.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -6.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6333   -4.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1446   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5001   -5.2057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4749   -4.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8918   -6.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802   -6.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -6.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -6.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END
$$$$
671
  Mrv2314 01052423262D          

 38 37  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    2.3645    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8946   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    2.4436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8356    2.3083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    1.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$
672
  Mrv2314 01052423262D          

 38 37  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    2.3645    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    2.7770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8946   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    2.4436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8356    2.3083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    1.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$
673
  Mrv2314 01052423262D          

 44 47  0  0  0  0            999 V2000
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.8841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454   -1.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2776   -0.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -0.6119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    0.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  6 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
  6 21  1  0  0  0  0
 16 21  4  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$
674
  Mrv2314 01052423262D          

 42 42  0  0  0  0            999 V2000
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693   -6.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580   -7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8155   -7.4189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3294   -7.1514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6264   -8.0948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$
675
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
   -4.2080   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4935   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4935   -2.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791   -0.8221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0646   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3501   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494   -2.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2575   -2.2266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3730   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    0.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349    0.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418    1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7955   -0.1076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9225   -0.4096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6205   -1.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791    0.0029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4349   -1.9718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943   -1.9718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799   -0.0848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7204   -0.0848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.6071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -2.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1791    0.4987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389   -0.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291   -1.9537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    0.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488    1.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703    1.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$
676
  Mrv2314 01052423262D          

 61 64  0  0  1  0            999 V2000
    1.4978   -1.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7927   -0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9089    1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6763    2.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2629    2.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5484    1.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1007   -0.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    1.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219   -1.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175   -2.4008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -1.9051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1220   -1.3344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7603    2.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2048    2.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9636    2.2542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3956    2.4483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850   -0.5835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4055   -1.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4195   -0.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0818   -0.8789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    2.4905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6014    3.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8769    3.0248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.3439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7268    1.4237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6470    1.8657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351    2.5089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9979    2.2099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637    2.4870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095    1.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361    2.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806    1.9019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    2.1583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004    2.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    1.0533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  8 21  1  1  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  1  1  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  1  0  0  0
  5 35  1  6  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  9 40  1  6  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 24 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
M  END
$$$$
677
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$
678
  Mrv2314 01052423262D          

 42 43  0  0  1  0            999 V2000
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -2.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -2.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824   -0.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -3.5449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  1  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  6  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$
679
  Mrv2314 01052423262D          

 54 55  0  0  0  0            999 V2000
    4.3164   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -4.2059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.9684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -4.2059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -5.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -5.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -6.2684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -7.0934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -6.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -7.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -8.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -9.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -4.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289   -2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -0.9059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -3.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441   -5.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -7.6974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -6.2684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -6.2684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -4.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -5.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -4.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -5.2322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8474   -4.4131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0809   -9.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -9.8408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -8.7138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -5.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -5.8559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -5.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  5 32  1  0  0  0  0
 32 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  4 37  1  0  0  0  0
  9 38  1  0  0  0  0
 12 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END
$$$$
680
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
  7 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  6 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 13 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
$$$$
681
  Mrv2314 01052423262D          

 41 41  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548    1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -1.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$
682
  Mrv2314 01052423262D          

 25 26  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$
683
  Mrv2314 01052423262D          

 50 51  0  0  0  0            999 V2000
   -1.3480   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.5230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8387   -2.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5874   -2.0611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287   -1.6908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5426    0.5997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.0719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6852   -0.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904    0.3892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3213    1.0058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7683   -1.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844   -1.9618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0139   -1.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -2.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622    0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357    1.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829    1.6482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  5 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END
$$$$
684
  Mrv2314 01052423262D          

 15 14  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649    0.7399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022    0.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8091   -0.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$
685
  Mrv2314 01052423262D          

  6  5  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
$$$$
686
  Mrv2314 01052423262D          

 22 24  0  0  0  0            999 V2000
    0.1163   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -1.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -1.2419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -1.2419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019   -2.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278   -2.8445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020   -2.8361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1849   -2.6009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7286   -0.9099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915   -0.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351    0.2092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567   -0.4294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5032   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280   -0.8652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8592   -0.4294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4673    0.2092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  8 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  6  7  1  0  0  0  0
  4 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$
687
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
   -0.1467    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -0.7365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7706   -1.4039    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1031   -1.8888    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2555   -2.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0760   -1.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4380   -0.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2658    3.0663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8271   -1.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036   -1.6468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7904   -2.7591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439   -2.5835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -1.7405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351   -0.7381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3153   -0.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -1.6482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$
688
  Mrv2314 01052423262D          

 37 37  0  0  0  0            999 V2000
   -2.5354    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2532    1.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408    1.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6283    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106    0.9466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8176   -0.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7601    0.3823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4435    2.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0108    1.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461    2.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    3.4373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1032    3.3855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    1.9689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    1.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351    2.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751    2.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535    3.5964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    4.0766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
 10 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$
689
  Mrv2314 01052423262D          

 20 19  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$
690
  Mrv2314 01052423262D          

 55 57  0  0  1  0            999 V2000
   -9.2881   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8756   -3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7006   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1203   -6.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7500   -5.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5860   -5.1916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4291   -4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404   -4.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6719   -5.2145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  7 13  4  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  5 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  1  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 30 54  1  0  0  0  0
 33 55  1  0  0  0  0
M  END
$$$$
691
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -4.8395    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.4105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$
692
  Mrv2314 01052423262D          

 55 56  0  0  0  0            999 V2000
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -5.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -5.9459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -7.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -6.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861   -6.6825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040   -7.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300   -8.1114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279   -5.0886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446   -6.0991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270  -11.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -9.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022   -9.7295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -8.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1077   -8.2571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 26  1  0  0  0  0
  4 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  3 31  1  0  0  0  0
  5 32  1  0  0  0  0
  7 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END
$$$$
693
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$
694
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
  5 13  1  0  0  0  0
  4 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$
695
  Mrv2314 01052423262D          

 41 40  0  0  0  0            999 V2000
    4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3461    4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    3.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1711    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8433    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8172    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2722    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5317    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2462    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9867    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7012    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9607    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6751    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1301    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3896    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1041    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8446    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5591    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8185    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5330    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2735    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4592    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    4.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6342    4.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
M  END
$$$$
696
  Mrv2314 01052423262D          

 13 12  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    0.3442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    1.0847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
$$$$
697
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1105    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
$$$$
698
  Mrv2314 01052423262D          

 35 36  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
 10  7  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$
699
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$
700
  Mrv2314 01052423262D          

 18 17  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699   -0.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655    0.4949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975    0.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153   -0.3090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739   -0.9134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -1.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4925    0.6618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$
701
  Mrv2314 01052423262D          

 38 40  0  0  0  0            999 V2000
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  5 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  CHG  1  15   1
M  END
$$$$
702
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  5 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$
703
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$
704
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   -1.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   -1.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0286   -3.2821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -2.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -3.4430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522   -3.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970   -3.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -3.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$
705
  Mrv2314 01052423262D          

 57 60  0  0  1  0            999 V2000
    1.4978   -1.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872    2.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5484    1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    1.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    1.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219   -1.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175   -2.4008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -1.9051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660   -0.9941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824   -1.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3485   -1.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850   -0.5835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4055   -1.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    2.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315    2.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431    1.7592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.8952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496    2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5060    2.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1973    1.8895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143    1.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    2.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    2.3697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    2.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772    2.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7121    0.1352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093    1.6043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7843    1.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    2.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  1  0  0  0
 11 21  1  0  0  0  0
  9 22  1  1  0  0  0
  8 23  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 27  1  6  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  1  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  1  0  0  0
  5 35  1  6  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  6  0  0  0
 12 43  1  6  0  0  0
 15 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
M  END
$$$$
706
  Mrv2314 01052423262D          

 42 42  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 13 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
 12 36  1  0  0  0  0
 15 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
$$$$
707
  Mrv2314 01052423262D          

 41 41  0  0  0  0            999 V2000
    5.3329   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.1105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    1.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2985    1.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6151    1.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0507    1.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$
708
  Mrv2314 01052423262D          

 44 44  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -5.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -4.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -4.7836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301   -4.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188   -4.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3652   -5.6968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4151   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5901   -4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END
$$$$
709
  Mrv2314 01052423262D          

 28 28  0  0  0  0            999 V2000
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$
710
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558    1.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8405    1.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.7365    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3928    1.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572    1.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    0.6661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844    0.1158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505    2.5163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689    1.1392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3925    2.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  4 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
$$$$
711
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -5.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 13 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  END
$$$$
712
  Mrv2314 01052423262D          

 27 26  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7583    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179    1.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652    2.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    2.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    1.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
$$$$
713
  Mrv2314 01052423262D          

 40 43  0  0  0  0            999 V2000
    4.6287    3.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162    2.3659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787    1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912    0.9370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162    0.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6287    1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -0.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431    2.6679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0412    3.7949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    3.4929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3432    3.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    2.8193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    2.0217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    1.2812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582    0.1937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3659    1.2812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3659    2.0217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2379    0.9397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120    0.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448   -1.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457   -1.6136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   -1.6136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -1.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    0.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    0.9397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  5 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
714
  Mrv2314 01052423262D          

 36 39  0  0  0  0            999 V2000
    1.6288    0.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    0.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    1.1821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210    2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    1.6996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082    2.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    0.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3659    0.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629    1.4587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4230    3.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797    3.5216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014    3.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806    3.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    4.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4503    4.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712    5.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467    4.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7324    4.8137    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683    0.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090   -0.5271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -0.0864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5268    2.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1006    2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853    0.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    0.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7194    3.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2952    3.8637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701    2.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3842    3.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747    5.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5164    5.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  5 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  4 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$
715
  Mrv2314 01052423262D          

 36 36  0  0  0  0            999 V2000
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    2.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433    2.4625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  4 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$
716
  Mrv2314 01052423262D          

 67 71  0  0  1  0            999 V2000
   -1.5115   -2.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6994   -2.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1127   -2.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249   -2.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6955   -3.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784   -3.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -3.3680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7494   -2.5921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2812   -1.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934   -2.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3737   -2.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858   -3.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7176   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5297   -2.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -3.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6221   -3.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782   -3.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -3.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -4.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221   -4.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418   -3.5132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6252   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767   -0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6888   -0.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691   -0.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4373   -1.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206    0.4162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0328    0.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9403    1.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895   -1.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844   -1.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663   -1.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -2.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6567   -2.9954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -3.2946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420   -4.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0149   -4.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892   -4.5898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808   -1.2396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1140   -1.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9055   -2.2518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2494   -1.7663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9979   -3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3547   -2.5442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630   -2.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5585   -4.7248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -5.2535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5330   -5.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638   -4.6141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299   -5.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.1439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7668   -0.1113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5964    0.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7450   -0.7101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -0.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -0.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8449    0.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1780    1.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    1.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6600    1.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1644    0.9119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418   -1.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950   -1.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8867   -1.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1602   -1.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
  7 21  1  0  0  0  0
 21 11  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  8 31  1  6  0  0  0
  4 32  1  6  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 40  1  1  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  1  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 17 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  6  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 32 67  1  0  0  0  0
M  END
$$$$
717
  Mrv2314 01052423262D          

 60 63  0  0  1  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8702   -1.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0946   -0.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2484   -0.4328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6201   -1.0815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0636   -2.0368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6840   -1.2563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0998   -0.4484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 17  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 20 27  1  0  0  0  0
 19 28  1  1  0  0  0
 15 29  1  0  0  0  0
 13 30  1  0  0  0  0
 10 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4 40  1  6  0  0  0
  5 41  1  1  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7 44  1  1  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END
$$$$
718
  Mrv2314 01052423262D          

 22 26  0  0  0  0            999 V2000
    0.6891   -0.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6338   -0.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888   -0.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3994    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9006    0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    1.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6352    0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4146    0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0428   -0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -1.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2914   -1.8900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1302   -1.8651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4357   -1.1966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6433    1.0694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801    0.5286    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6214    1.9598    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7858    1.9173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4605    1.3239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1341   -0.2074    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0195   -0.9977    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -0.8850    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898   -0.3964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
  7 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  5 18  1  0  0  0  0
  4 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
$$$$
719
  Mrv2314 01052423262D          

 35 36  0  0  0  0            999 V2000
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$
720
  Mrv2314 01052423262D          

 29 29  0  0  0  0            999 V2000
    2.6440    3.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669    2.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219    2.3354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    1.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    1.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    1.0053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566    1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598    3.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210    4.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8282    3.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179    2.2358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5885    2.9251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285   -0.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.3845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -1.2691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141   -0.9584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2009   -0.9584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -1.2691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8746    0.3845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7153   -0.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    1.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910    1.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    2.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
$$$$
721
  Mrv2314 01052423262D          

 31 32  0  0  0  0            999 V2000
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$
722
  Mrv2314 01052423262D          

 30 30  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$
723
  Mrv2314 01052423262D          

 28 27  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7583    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179    1.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652    2.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    2.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    1.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$
724
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  5 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$
725
  Mrv2314 01052423262D          

 21 21  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$
726
  Mrv2314 01052423262D          

 77 81  0  0  1  0            999 V2000
   -3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -5.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986   -4.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986   -3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808   -2.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -2.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505   -2.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -7.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -7.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -6.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2198   -5.3833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0879   -5.0886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6923   -5.7778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5555   -4.5682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4301   -3.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9188   -3.5947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -2.4052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8367   -2.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -3.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002   -2.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060   -5.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0959   -4.5667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5305   -4.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9477   -5.6906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369   -3.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0994   -2.6997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4962   -7.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 27 29  1  0  0  0  0
 24 30  4  0  0  0  0
 30 31  4  0  0  0  0
 21 31  4  0  0  0  0
 12 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
  2 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7 50  1  0  0  0  0
  8 51  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 54  1  0  0  0  0
 11 55  1  0  0  0  0
 12 56  1  1  0  0  0
 14 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 61  1  0  0  0  0
 20 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 28 65  1  0  0  0  0
 30 66  1  0  0  0  0
 31 67  1  0  0  0  0
 33 68  1  0  0  0  0
 33 69  1  0  0  0  0
 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
 40 76  1  0  0  0  0
 41 77  1  0  0  0  0
M  END
$$$$
727
  Mrv2314 01052423262D          

 24 24  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$
728
  Mrv2314 01052423262D          

 32 34  0  0  0  0            999 V2000
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  5 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
 15 28  1  0  0  0  0
 17 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
$$$$
729
  Mrv2314 01052423262D          

 40 44  0  0  1  0            999 V2000
   -1.2926    1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132    0.4469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533   -0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1481   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114   -0.6779    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3741   -0.0735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1278    0.6776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9237    0.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6258    0.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963   -0.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7953   -0.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    0.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    0.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3826   -1.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5328   -1.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7075   -1.5154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1167   -1.7604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7429   -1.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4085   -0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024   -2.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7053    1.6136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    1.6214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8799    0.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062   -0.0470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142   -0.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152   -1.3975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -0.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1297    0.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339    1.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3814    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529    1.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8221    0.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827    1.4386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1744   -2.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347   -2.3399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4845   -2.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496   -1.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578    0.4137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -3.1670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
  5 10  1  6  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 17 16  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  6 20  1  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  6 29  1  6  0  0  0
  7 30  1  1  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 17 36  1  6  0  0  0
 18 37  1  6  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$
730
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
    6.2161    1.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3956    1.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600    1.0957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2395    1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7546    1.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0902    2.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9106    2.5168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6052    3.0980    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    1.5907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    2.2581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041    3.0428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040    0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835    0.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023    1.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0365    2.0219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1298    2.7561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986    0.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962    3.6362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5568    2.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    4.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494    4.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349    3.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630    0.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -0.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5684   -0.4979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  9 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$
731
  Mrv2314 01052423262D          

 37 38  0  0  0  0            999 V2000
   -0.8866   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -1.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6354   -2.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -3.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7154   -3.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703   -2.3429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8739   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595    0.2046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    2.2374    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866    0.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7116   -0.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866   -1.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -0.5128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5638    0.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -1.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029   -2.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239   -2.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652   -1.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -0.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7562   -0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0217   -2.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -3.7949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634    0.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    2.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0634    0.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6035   -0.1817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  3  0  0  0  0
  5 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  8 32  1  0  0  0  0
 10 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$
732
  Mrv2314 01052423262D          

 43 44  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781   -0.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -1.0674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8277   -1.9997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -0.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670    1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    3.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    3.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  2 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  9 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$
733
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  5 19  1  0  0  0  0
  7 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$
734
  Mrv2314 01052423262D          

 23 23  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$
735
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$
736
  Mrv2314 01052423262D          

 46 45  0  0  0  0            999 V2000
    4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3461    4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    3.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1711    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8433    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8172    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2722    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5317    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2462    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9867    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7012    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9607    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6751    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1301    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3896    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1041    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8446    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5591    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8185    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5330    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2735    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9880    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2475    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4592    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    4.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6342    4.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5072    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    1.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1572    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
M  END
$$$$
737
  Mrv2314 01052423262D          

 34 33  0  0  0  0            999 V2000
    2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7972    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1743    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    0.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8243    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
M  END
$$$$
738
  Mrv2314 01052423262D          

 21 20  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    3.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    3.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$
739
  Mrv2314 01052423262D          

 49 50  0  0  1  0            999 V2000
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104    2.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424    2.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380    2.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287    3.7725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340    4.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232    5.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205    3.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246    1.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156    0.8027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015    0.4126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5394   -0.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970   -2.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -2.4625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7671    2.7787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
  7 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  1  0  0  0
 18 44  1  1  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END
$$$$
740
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  3  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$
741
  Mrv2314 01052423262D          

 45 49  0  0  1  0            999 V2000
   -1.7916    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2236    2.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4577    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1537   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851   -0.3217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4293   -1.1464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4260   -1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6633   -2.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0113   -0.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    0.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0472    1.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7488    1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    0.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7894   -0.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014   -0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8381    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964   -0.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598   -1.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9478    0.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575    3.6081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    2.6243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4214    2.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610    1.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    0.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8925    0.3634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292   -0.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2694   -1.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    0.1963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4339   -1.9713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346   -0.7812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317   -1.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411    0.6955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479    0.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934    1.8365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    2.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913    2.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    1.8313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -1.7351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654   -0.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
  7 17  1  6  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
  8 23  1  0  0  0  0
 13 24  1  6  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  8 34  1  6  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 14 39  1  1  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
$$$$
742
  Mrv2314 01052423262D          

 48 53  0  0  1  0            999 V2000
   -1.4164    3.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6253    2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2236    2.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4577    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1537   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851   -0.3217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4293   -1.1464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4260   -1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6633   -2.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0113   -0.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    0.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0472    1.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7488    1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    0.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7894   -0.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014   -0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8381    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964   -0.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598   -1.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9478    0.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5622    3.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    3.2086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509    2.5071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0610    3.3887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    2.2402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610    1.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    0.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8925    0.3634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292   -0.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2694   -1.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    0.1963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4339   -1.9713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346   -0.7812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317   -1.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411    0.6955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479    0.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934    1.8365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    2.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913    2.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    1.8313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -1.7351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654   -0.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
  8 18  1  6  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 19 24  1  0  0  0  0
  9 24  1  0  0  0  0
 14 25  1  6  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  9 37  1  6  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 15 42  1  1  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
$$$$
743
  Mrv2314 01052423262D          

 33 35  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  4  0  0  0  0
  1 10  4  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
 10 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
$$$$
744
  Mrv2314 01052423262D          

 18 19  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  4  0  0  0  0
  1 10  4  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$
745
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
    4.1763   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513   -2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493   -3.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906   -3.1198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2640   -0.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2640   -1.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0357   -0.7366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4523    0.2739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    0.7748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638    0.9059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 11 20  4  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$
746
  Mrv2314 01052423262D          

 31 32  0  0  1  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  5 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  1  0  0  0
  4 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$
747
  Mrv2314 01052423262D          

 28 30  0  0  0  0            999 V2000
    2.5645    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7409    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1111    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0695    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
 11 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$
748
  Mrv2314 01052423262D          

 30 29  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230   -0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643   -0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1982    1.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770    2.2525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357    1.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980    0.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6393    0.9756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357   -0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770   -0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7547    0.1819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
$$$$
749
  Mrv2314 01052423262D          

 48 47  0  0  0  0            999 V2000
    5.9961    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    5.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7131    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836    5.0013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2816    3.8743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4086    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0808    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3403    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5097    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7692    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2242    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9387    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1982    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9126    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6531    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3676    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6271    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0821    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7966    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0560    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7705    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5110    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7447    3.4618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    2.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3947    3.4618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6544    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9139    5.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5820    2.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 19 48  1  0  0  0  0
M  END
$$$$
750
  Mrv2314 01052423262D          

 75 79  0  0  1  0            999 V2000
    3.3502   -2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076   -2.4743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5475   -3.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707   -1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5952   -1.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990   -2.2906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0853   -3.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -3.4466    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1903   -2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921   -2.1191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649   -1.2649    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4830   -0.6164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3961    0.7545    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778    1.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648    0.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534    1.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014    2.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3563    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1633    3.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153    2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4182    3.8926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2252    4.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6947    2.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836   -3.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757   -4.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5077   -4.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929   -2.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -2.3956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103   -1.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -3.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673   -3.9679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0632   -3.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -1.5525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224   -3.9198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -3.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017   -4.0761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5229   -1.9659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -2.6972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1429   -0.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0124    1.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0536    4.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321    4.2357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3967    3.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230    1.4008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0672    1.6290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8389    2.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8347   -0.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -1.3654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -3.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -3.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2628   -4.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734   -5.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544   -4.8258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1363   -4.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 33 34  1  0  0  0  0
 11 35  1  1  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
  8 43  1  1  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  3 47  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  6 50  1  1  0  0  0
  7 51  1  0  0  0  0
  7 52  1  0  0  0  0
  8 53  1  6  0  0  0
  9 54  1  0  0  0  0
  9 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 57  1  0  0  0  0
 17 58  1  0  0  0  0
 27 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 38 70  1  0  0  0  0
 39 71  1  0  0  0  0
 42 72  1  0  0  0  0
 42 73  1  0  0  0  0
 42 74  1  0  0  0  0
 43 75  1  0  0  0  0
M  END
$$$$
751
  Mrv2314 01052423262D          

 23 23  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$
752
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$
753
  Mrv2314 01052423262D          

 37 36  0  0  0  0            999 V2000
    0.1105   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    6.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    5.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -1.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -2.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  0  0  0  0
M  END
$$$$
754
  Mrv2314 01052423262D          

 20 19  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6078   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    1.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
$$$$
755
  Mrv2314 01052423262D          

 64 66  0  0  0  0            999 V2000
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167    0.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  4 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
  3 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  4 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 57  1  0  0  0  0
 24 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 61  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END
$$$$
756
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$
757
  Mrv2314 01052423262D          

 43 44  0  0  0  0            999 V2000
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6794   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553   -2.3956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5009   -1.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6035   -0.7526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  4 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
$$$$
758
  Mrv2314 01052423262D          

 47 48  0  0  0  0            999 V2000
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714   -0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714   -2.4469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  3  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  4 32  1  0  0  0  0
  7 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
$$$$
759
  Mrv2314 01052423262D          

 52 53  0  0  0  0            999 V2000
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148   -2.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148   -0.4406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  4 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
$$$$
760
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$
761
  Mrv2314 01052423262D          

 46 47  0  0  0  0            999 V2000
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 25  1  0  0  0  0
  7 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  8 32  1  0  0  0  0
 11 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  CHG  2  18   1  20  -1
M  END
$$$$
762
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
$$$$
763
  Mrv2314 01052423262D          

 23 24  0  0  0  0            999 V2000
    0.9593   -2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6268   -2.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114   -2.6329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718   -3.6725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5468   -3.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619   -4.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919   -2.8879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927   -2.6329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6643   -1.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1163   -2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838   -1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038   -0.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0137   -0.1189    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.8342   -0.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6782    0.6347    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3466   -1.6745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720   -1.6745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568   -4.3399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0512   -1.2739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1163   -2.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684   -1.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  4 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
$$$$
764
  Mrv2314 01052423262D          

 20 20  0  0  0  0            999 V2000
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329    0.3323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    0.5872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306    0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8153    0.2901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591   -0.7718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913    1.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891    1.3942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -1.0267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4722   -1.3238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
  5 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  CHG  2   6   1   8  -1
M  END
$$$$
765
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7977   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -1.4901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326   -0.3378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -0.5169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404   -0.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728    1.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121    0.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
$$$$
766
  Mrv2314 01052423262D          

 29 28  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    3.3809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7972    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3696    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
M  END
$$$$
767
  Mrv2314 01052423262D          

 25 26  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$
768
  Mrv2314 01052423262D          

 29 28  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7972    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3696    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
M  END
$$$$
769
  Mrv2314 01052423262D          

 38 39  0  0  1  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834    1.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609    0.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722    0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   -2.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -1.7678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8153   -2.2014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.4689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    1.1459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8953    1.6492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859    0.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    1.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    1.2367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177    1.1358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  1  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  6  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  1  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$
770
  Mrv2314 01052423262D          

 44 45  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -4.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403   -3.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2324   -4.4642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  5 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 16 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$
771
  Mrv2314 01052423262D          

 48 51  0  0  1  0            999 V2000
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5484    1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093    1.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    1.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8508    2.3697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    2.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772    2.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    2.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880    2.0104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -1.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -0.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0702    1.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    2.1812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095    1.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7804    1.9851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1399    1.1095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  3  0  0  0  0
 10 13  1  1  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 16  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  6  0  0  0
  6 31  1  1  0  0  0
  7 32  1  6  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 17 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  1  0  0  0
M  END
$$$$
772
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -4.6480    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -6.0770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  9 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$
773
  Mrv2314 01052423262D          

 41 43  0  0  0  0            999 V2000
    2.3747    3.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    2.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1997    3.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    4.4570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    3.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603    2.3945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9128    2.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    3.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    1.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    1.5695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682    1.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -2.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8612   -1.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462   -1.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -2.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9277    1.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$
774
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   -4.0145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612   -2.5855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8427   -4.4270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177   -2.9980    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 22 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 16 31  1  0  0  0  0
  3 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  6 35  1  0  0  0  0
 10 36  1  0  0  0  0
 13 37  1  0  0  0  0
 15 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$
775
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$
776
  Mrv2314 01052423262D          

 30 32  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  8 17  4  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$
777
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  4 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$
778
  Mrv2314 01052423262D          

 32 33  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  8  7  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
 11 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
$$$$
779
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$
780
  Mrv2314 01052423262D          

 50 51  0  0  0  0            999 V2000
   -5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3033   -5.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3716   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6571   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -7.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 12 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
 11 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$
781
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1308    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
$$$$
782
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7972    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    0.9059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$
783
  Mrv2314 01052423262D          

 33 33  0  0  0  0            999 V2000
    3.5108   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2253   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9398   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3687   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7976   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2266   -4.3205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9803   -3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1518   -3.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5323   -4.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1198   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128   -5.1410    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983   -3.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964   -4.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9233   -5.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5956   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695   -5.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -5.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0245   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2840   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9984   -5.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7390   -5.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4534   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7129   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4274   -5.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1679   -5.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8824   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1419   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3528   -4.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4554   -6.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
$$$$
784
  Mrv2314 01052423262D          

 49 51  0  0  0  0            999 V2000
   -3.8837    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587    0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587    2.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5357    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067    1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837    2.2705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7087    1.4455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837    0.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5890   -0.0115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9154   -0.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3442    1.0330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965    1.9548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4753    2.8538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3744    3.0327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    1.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472    2.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995   -0.5057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9871   -0.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7212    0.1871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8996    0.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2818    1.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741    1.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0757    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3281   -1.3488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -2.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 23 24  4  0  0  0  0
 16 24  4  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
 10 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END
$$$$
785
  Mrv2314 01052423262D          

 42 42  0  0  0  0            999 V2000
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -5.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4889   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 13 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$
786
  Mrv2314 01052423262D          

 45 47  0  0  0  0            999 V2000
   -5.2840    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5695    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8551    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1406    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4261    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4261    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1406    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7117    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972    2.2539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2435    1.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720    1.1114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3085    2.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335    2.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424    3.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3085    3.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040    3.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110    3.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5240    3.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335    3.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460    3.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8715    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9985    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6965    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9398    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1993    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4848    2.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2253    2.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5109    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1406    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    3.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9728    3.7682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763    3.9806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3225    4.2961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9507    3.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6441    1.7778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8369    2.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647    3.2101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118    3.8213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040    4.6749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889    3.9134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460    4.6749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710    3.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 13 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END
$$$$
787
  Mrv2314 01052423262D          

 64 63  0  0  0  0            999 V2000
   -0.2427    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9007    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    3.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572    1.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1698    1.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8420    3.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1015    3.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5565    1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2709    3.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5304    3.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854    1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999    3.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9594    3.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4143    1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1288    3.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3883    3.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    1.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    2.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342    4.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3639    3.6203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2722    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5317    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2462    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9867    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7012    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9607    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6751    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1301    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3896    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1041    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8446    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0783    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    1.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7283    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9880    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2475    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9156    2.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 25 64  1  0  0  0  0
M  END
$$$$
788
  Mrv2314 01052423262D          

 43 45  0  0  0  0            999 V2000
   -5.1659   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409   -2.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659   -0.5874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9909   -1.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659   -2.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9281   -2.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7493   -3.4247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8502   -3.6036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4054   -3.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784   -3.5558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9765   -2.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180   -2.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767   -1.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6095    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    1.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 16 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  3 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
$$$$
789
  Mrv2314 01052423262D          

 41 44  0  0  0  0            999 V2000
    4.9875    0.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2205    0.0253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3920   -0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6775   -1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0645   -0.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7020    1.2385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    1.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2730    0.4135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   -1.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5913   -2.0147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775   -1.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3818   -1.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4505   -0.9852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718    1.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9883    1.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840    2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    3.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  4  0  0  0  0
 11 21  4  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$
790
  Mrv2314 01052423262D          

 43 44  0  0  0  0            999 V2000
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -0.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011   -0.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877   -1.6252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1114   -0.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5381   -0.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$
791
  Mrv2314 01052423262D          

 41 41  0  0  0  0            999 V2000
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -1.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -1.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762   -2.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066   -1.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -1.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -7.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -6.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
 10 38  1  0  0  0  0
 12 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  CHG  4  14   1  16  -1  21   1  23  -1
M  END
$$$$
792
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
    0.6078    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    4.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.2902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032    2.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837    1.8053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3688   -0.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1863    0.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212   -0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    3.1152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    5.5902    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0203    6.7172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    6.4152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953    5.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    6.4152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687    6.5330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1800    6.8151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    5.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    4.7652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    3.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7014    0.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363   -0.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897    1.2692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573    1.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841    1.0307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9523   -0.8352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360   -0.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    0.6705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 21  1  0  0  0  0
  6 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  7 30  1  0  0  0  0
 10 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$
793
  Mrv2314 01052423262D          

 27 26  0  0  0  0            999 V2000
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9553    1.4897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5197    1.4897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
$$$$
794
  Mrv2314 01052423262D          

 37 39  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775   -2.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9549   -3.4657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471   -4.3735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245   -3.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5344   -0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    0.4014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204   -0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773   -2.3166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6081   -2.8265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 16 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$
795
  Mrv2314 01052423262D          

 46 48  0  0  0  0            999 V2000
    7.1447    8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    6.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    7.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    6.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763    4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4412    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697    8.5917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    9.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3197    8.5917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    7.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.5292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.5792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.7542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.5792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0957    2.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275    0.6794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2144    1.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519    1.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652    0.7594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612    5.4023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    5.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    6.8312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
  4 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  3 32  1  0  0  0  0
  8 33  1  0  0  0  0
 11 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$
796
  Mrv2314 01052423262D          

 31 33  0  0  0  0            999 V2000
    3.0808    3.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691    2.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527    2.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596    1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    0.4742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358   -1.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502   -1.6575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -1.1960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    0.5559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6188   -0.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972    3.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739    3.3886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    1.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    1.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876    2.7527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2327   -0.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -2.0003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028    1.0876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -1.0941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3294    0.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
  9 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  9 26  1  0  0  0  0
 12 27  1  0  0  0  0
 15 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
$$$$
797
  Mrv2314 01052423262D          

 42 42  0  0  0  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321   -2.6885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123   -1.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968   -2.6414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609   -2.7697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722   -2.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073   -1.7282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104   -4.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7402   -4.2607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
$$$$
798
  Mrv2314 01052423262D          

 35 36  0  0  0  0            999 V2000
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.5230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.9520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6829    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 12 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  9 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
$$$$
799
  Mrv2314 01052423262D          

 39 42  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3886    2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2839    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    2.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116    3.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392    3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110    3.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618    3.5641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829    3.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460    4.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    4.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2468    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837    3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7910    5.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846    1.7558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065    1.9214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168    4.5199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394    4.3854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795    2.7262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5908    5.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0287    4.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5729    5.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  6 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$
800
  Mrv2314 01052423262D          

 57 60  0  0  1  0            999 V2000
    1.6131   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9811   -0.5142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.6765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -1.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601   -1.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9307   -1.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8487   -1.0521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
  2 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 11 24  1  1  0  0  0
 10 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  4 32  1  0  0  0  0
  2 33  1  6  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  3 37  1  1  0  0  0
  4 38  1  6  0  0  0
  5 39  1  1  0  0  0
  6 40  1  6  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
$$$$
801
  Mrv2314 01052423262D          

 57 60  0  0  1  0            999 V2000
    1.6131   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9811   -0.5142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.6765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -1.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601   -1.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9307   -1.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8487   -1.0521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
  2 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 11 24  1  1  0  0  0
 10 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  4 32  1  0  0  0  0
  2 33  1  6  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  3 37  1  1  0  0  0
  4 38  1  6  0  0  0
  5 39  1  1  0  0  0
  6 40  1  6  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
$$$$
802
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  7 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
$$$$
803
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$
804
  Mrv2314 01052423262D          

 40 41  0  0  1  0            999 V2000
    0.6078    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9097    1.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.0527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7512    0.6402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4656    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -0.5973    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.1848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.6697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953    0.9422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   -0.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203   -0.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597   -0.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457    0.6411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238   -0.8719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277    1.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    1.8569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    1.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976    1.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    1.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3296    1.7537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -1.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    0.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0709   -1.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -2.1218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    2.6351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
  5 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  6  0  0  0
  6 31  1  6  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 16 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$
805
  Mrv2314 01052423262D          

 32 32  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    3.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    4.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
$$$$
806
  Mrv2314 01052423262D          

 32 32  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    3.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    4.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
$$$$
807
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$
808
  Mrv2314 01052423262D          

 51 54  0  0  0  0            999 V2000
    5.6331    2.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4615    3.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7941    4.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6011    4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0136    3.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    5.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4517    6.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7873    6.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6078    6.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0927    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571    5.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220   -2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740   -3.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0150   -2.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261    2.3984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8046    1.7630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4400    2.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312    6.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3023    7.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    7.7192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9132    6.3843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420    4.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5401    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702    1.6692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140    0.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7268   -0.8307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8807   -1.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -1.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211   -1.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630   -1.9957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$
809
  Mrv2314 01052423262D          

 34 33  0  0  0  0            999 V2000
    2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7972    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178    1.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6881    0.6291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    0.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    1.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    3.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3696    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
M  END
$$$$
810
  Mrv2314 01052423262D          

 39 39  0  0  0  0            999 V2000
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6283    1.9049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5617    2.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3988    3.0980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3329    3.1114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0406    3.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    4.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6817    4.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    4.1059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0055    3.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 10 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  9 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  CHG  4  13   1  15  -1  18   1  20  -1
M  END
$$$$
811
  Mrv2314 01052423262D          

 46 48  0  0  0  0            999 V2000
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    1.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7719    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324    3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324    2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071    1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0406    0.5139    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5809    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469    4.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056    3.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5809   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
  6 31  1  0  0  0  0
 31 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  4 36  1  0  0  0  0
 12 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 32 44  1  0  0  0  0
 32 45  1  0  0  0  0
 32 46  1  0  0  0  0
M  END
$$$$
812
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
$$$$
813
  Mrv2314 01052423262D          

 13 13  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$
814
  Mrv2314 01052423262D          

 11 11  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
$$$$
815
  Mrv2314 01052423262D          

 34 34  0  0  0  0            999 V2000
    0.2182    4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6283    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935    3.7698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004    4.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570    4.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    3.5133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7257    2.7841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8150    3.3924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461    2.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980    1.0942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0092    2.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4252    1.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241    1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    1.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351    2.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7666    2.4599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549    3.2190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    1.9689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  2  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  9 28  1  0  0  0  0
 12 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$
816
  Mrv2314 01052423262D          

 18 17  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$
817
  Mrv2314 01052423262D          

 32 31  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -7.1447    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -6.8427    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -6.0177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105   -6.1283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -5.3033    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -5.4138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -4.5888    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -4.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -3.8743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  1 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$
818
  Mrv2314 01052423262D          

 23 22  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -5.0013    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -4.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -3.8743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
819
  Mrv2314 01052423262D          

 24 23  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -3.8834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$
820
  Mrv2314 01052423262D          

 20 19  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -4.2868    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
821
  Mrv2314 01052423262D          

 29 28  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -6.4302    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105   -6.1283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -5.3033    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -5.4138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -4.5888    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -4.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -3.8743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$
822
  Mrv2314 01052423262D          

 31 30  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -4.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -4.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
M  END
$$$$
823
  Mrv2314 01052423262D          

 30 29  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -4.7084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
$$$$
824
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -5.7158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -5.4138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -4.5888    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -4.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -3.8743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$
825
  Mrv2314 01052423262D          

 35 34  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -7.8592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -7.5572    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645   -6.7322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -6.8427    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -6.0177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105   -6.1283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -5.3033    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -5.4138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -4.5888    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -4.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -3.8743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  1 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$
826
  Mrv2314 01052423262D          

 46 48  0  0  0  0            999 V2000
    3.3529   -4.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -5.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.8388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -6.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -7.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -7.4888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -7.4888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6168   -4.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8832   -3.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209   -4.0637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8226   -5.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9807   -5.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859   -6.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -6.9886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -6.9886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.0763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.6013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.6013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.0763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.2513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.6013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.4263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -5.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4265   -4.7525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2576   -4.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6291   -3.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  3 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  2 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
$$$$
827
  Mrv2314 01052423262D          

 41 44  0  0  1  0            999 V2000
   -0.4260   -5.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260   -4.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -3.9584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -4.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -5.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -5.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260   -5.1959    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4260   -4.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1405   -5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1405   -6.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260   -6.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -6.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -7.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694   -8.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839   -7.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839   -6.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694   -6.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9983   -8.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9983   -8.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839   -9.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694   -8.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3283   -4.7244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240   -4.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7082   -5.2837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2391   -4.9966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563   -3.6817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266   -4.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266   -5.2439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563   -5.8852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -6.4334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260   -6.0209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2496   -4.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -3.6817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -5.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1405   -8.0834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9983   -6.4334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694   -5.6084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517   -9.5977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219   -8.9564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136  -10.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6541  -10.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  1  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 13 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$
828
  Mrv2314 01052423262D          

 37 40  0  0  0  0            999 V2000
    0.3758   -2.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068   -1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911   -0.8123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1184   -0.2765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219   -0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5691   -0.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3084   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9194   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050   -0.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795   -1.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   -1.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829   -1.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9614   -2.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364   -2.1605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6293   -1.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110   -2.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -2.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4826   -3.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0103   -4.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1883   -4.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8387   -3.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.5225    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6651   -1.4801    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2761   -0.9257    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8397   -2.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -2.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -2.7090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3111   -0.6198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5783    0.4670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    0.6365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3160    0.1326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431   -2.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026   -2.2318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3045   -3.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599   -5.1587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160   -5.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  5 15  4  0  0  0  0
  2 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  CHG  2  23   1  24  -1
M  END
$$$$
829
  Mrv2314 01052423262D          

 47 49  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6815   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  4 34  1  0  0  0  0
  6 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 16 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 22 45  1  0  0  0  0
 26 46  1  0  0  0  0
 31 47  1  0  0  0  0
M  END
$$$$
830
  Mrv2314 01052423262D          

 26 26  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$
831
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827   -0.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222   -1.2125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -2.2521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -4.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864   -2.8282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$
832
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    0.9966    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -3.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -2.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    1.0945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234    1.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    0.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -0.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2959   -1.1234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -2.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -2.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197   -0.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579    1.8087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.4835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303   -0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3844   -0.7693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  6 23  1  0  0  0  0
  9 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$
833
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
    0.9966    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -2.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -3.5195    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7751   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    1.0945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234    1.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    0.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -0.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2959   -1.1234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -2.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197   -0.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579    1.8087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.4835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303   -0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3844   -0.7693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  6 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  CHG  1  11  -1
M  END
$$$$
834
  Mrv2314 01052423262D          

 13 13  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$
835
  Mrv2314 01052423262D          

 39 42  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    0.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5437    2.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    3.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5288    4.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537    4.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7737    3.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3687    2.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    5.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    2.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    2.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631    3.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831    3.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041    4.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114    3.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2904    4.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447    2.9068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529    4.2967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050    5.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754    4.0703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308    2.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5837    5.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358    1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6503    2.8138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506    4.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    2.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1104    5.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  6 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
$$$$
836
  Mrv2314 01052423262D          

 38 41  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    0.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5437    2.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    3.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5288    4.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537    4.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7737    3.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3687    2.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    5.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    2.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    2.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631    3.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831    3.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041    4.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114    3.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2904    4.4241    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447    2.9068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529    4.2967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050    5.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754    4.0703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308    2.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5837    5.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358    1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6503    2.8138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506    4.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    2.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  6 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  1  25  -1
M  END
$$$$
837
  Mrv2314 01052423262D          

 38 41  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3886    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110   -0.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392   -0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2839    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618   -0.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2468   -1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279   -1.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460   -1.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829   -0.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7910   -2.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937   -1.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9047   -1.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065    1.1245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062    1.8113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5342   -0.0403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    0.6058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0287   -1.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5908   -2.0921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795    0.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1721   -2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  6 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$
838
  Mrv2314 01052423262D          

 40 42  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3789   -4.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5409   -5.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858   -4.8915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$
839
  Mrv2314 01052423262D          

 23 25  0  0  0  0            999 V2000
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
  4 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$
840
  Mrv2314 01052423262D          

 26 27  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$
841
  Mrv2314 01052423262D          

 30 29  0  0  0  0            999 V2000
    5.3625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.6039    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8482   -2.5968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4895   -2.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153   -3.4037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9558   -3.4037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7518   -0.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105    0.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
$$$$
842
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
   -2.7772   -4.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223   -4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153   -3.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -3.1062    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757   -3.3611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2450   -2.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4165   -2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -1.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -2.3215    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5618   -4.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321   -5.6315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9926   -5.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7404   -3.2667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2907   -3.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033   -1.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -2.1686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3733   -2.1962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0002   -1.6806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4718   -1.0086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803   -2.9456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700   -2.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$
843
  Mrv2314 01052423262D          

 31 32  0  0  0  0            999 V2000
   -2.6462   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337   -1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -2.2374    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -0.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3607   -1.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587   -2.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -2.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0870    0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5865    0.6430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802    0.2834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9891   -0.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413   -1.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$
844
  Mrv2314 01052423262D          

 41 43  0  0  1  0            999 V2000
    2.0724   -0.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    0.2088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0005   -0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6774    0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379    0.9720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    0.9883    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9554    1.4863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785    1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505   -0.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -0.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4564    0.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7810   -1.2064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5844   -1.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9716    2.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9359    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -0.6836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   -1.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441   -1.1654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450   -0.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0168    0.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2386   -0.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    0.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835    1.7677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.0963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    0.7873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356    1.9915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5416   -1.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970   -0.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879   -0.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7965    2.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879    3.1359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    2.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    1.1318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4339    2.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2782    2.1278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  2  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  0  0  0  0
  5 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  6 28  1  6  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$
845
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$
846
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1027   -5.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4382   -6.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587   -6.1695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -5.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -4.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -4.7836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301   -4.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188   -4.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4438   -5.9985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0257   -6.9702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8107   -6.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
  6 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$
847
  Mrv2314 01052423262D          

 45 47  0  0  0  0            999 V2000
    3.6791   10.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646   10.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    9.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    8.4777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    8.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    6.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443    3.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953    2.2581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052    1.5907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752    3.0428    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0916   10.2382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3935   11.3652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2666   11.6672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5112   11.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410   10.5881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3935    9.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    8.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    9.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4179    6.5509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7882    7.1922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7968    7.5170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265    6.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    4.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    3.5277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    6.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    6.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0611    5.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4314    4.4006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3428    3.9022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    1.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 19 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  4 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$
848
  Mrv2314 01052423262D          

 54 55  0  0  0  0            999 V2000
   -3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0433   -5.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7078   -4.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873   -4.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -6.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -7.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -6.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -6.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -6.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -6.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -6.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -6.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -8.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922   -8.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2624   -8.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -9.3997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -9.3997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4074   -4.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7366   -4.0573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 14 44  1  0  0  0  0
 17 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END
$$$$
849
  Mrv2314 01052423262D          

 48 50  0  0  1  0            999 V2000
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2296   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0366   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696   -1.0462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -1.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -0.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970   -1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1866   -2.0614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9475    0.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6867    0.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.5775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607   -1.8854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256   -0.7661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 11  8  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
  6 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  7 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  6  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  6  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 21 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$
850
  Mrv2314 01052423262D          

 47 50  0  0  0  0            999 V2000
    3.0892    4.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    4.0445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    3.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    2.3945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    3.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    1.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    0.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741   -2.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -1.4753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    0.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    4.8695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    5.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642    4.8695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    3.6799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2570    4.3213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2570    2.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    2.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5511    2.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214    2.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214    4.3213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5511    3.6799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    1.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682    1.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -2.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953   -0.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -1.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 11 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 20 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$
851
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3569    0.4406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3569    2.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$
852
  Mrv2314 01052423262D          

 39 39  0  0  0  0            999 V2000
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9118    0.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6201    0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -0.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -1.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -1.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  9 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$
853
  Mrv2314 01052423262D          

 55 58  0  0  1  0            999 V2000
    2.9684   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920   -4.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3387   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1026   -5.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0093   -5.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3569   -3.7406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8233   -4.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -4.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -4.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590   -4.1125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3478   -3.8303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  6  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  6  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END
$$$$
854
  Mrv2314 01052423262D          

 17 16  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
M  CHG  1   9  -1
M  END
$$$$
855
  Mrv2314 01052423262D          

 23 22  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
M  CHG  1  10  -1
M  END
$$$$
856
  Mrv2314 01052423262D          

 29 28  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
M  CHG  1  11  -1
M  END
$$$$
857
  Mrv2314 01052423262D          

 52 57  0  0  1  0            999 V2000
    1.8139    2.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6367    2.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9476    2.0901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566    1.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2532    2.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1346    1.1952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7971    0.4424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9981    0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393    0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5624    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8617    0.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8886    1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162    1.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364   -0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4563   -1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2947   -1.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132   -2.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8934   -1.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550   -0.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352   -0.2921    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593    1.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3522    1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204    2.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1769    1.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435    2.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4348    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1377    2.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8632    2.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8856    1.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1827    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4572    1.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6798    1.3116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6405    3.6014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    3.1021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3503    3.2684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924    3.6774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5924    0.5089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182   -0.1558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1342    0.3913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880    2.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2377   -0.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145   -2.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3516   -2.9991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1120   -1.9101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6884    0.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3673    3.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1153    3.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5661    2.8832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6111    1.2338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2051    0.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4464    0.5203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  1 13  1  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  3 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  1  0  0  0  0
  6 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 32 33  4  0  0  0  0
 25 33  4  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  6 38  1  6  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 22 46  1  0  0  0  0
 26 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 33 52  1  0  0  0  0
M  END
$$$$
858
  Mrv2314 01052423262D          

 66 67  0  0  1  0            999 V2000
    2.2560    3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459    3.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9058    3.1084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1758    2.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957    3.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744    4.0439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    2.6407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2546    2.7966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5246    3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    3.7321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8748    3.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6048    2.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946    2.1730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5246    1.3934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0647    0.7698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8748    0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449    1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946   -0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657    0.3020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9058    0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159    0.7698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2560    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062    1.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362    0.4579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860   -0.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358   -0.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6048    4.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    2.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    3.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119    4.3863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544    4.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    4.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159    2.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530    2.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199    1.5187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180    1.9686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845    2.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    3.8911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219    4.3759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449    3.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6544    2.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    1.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2546    0.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6048    0.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6544    0.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550    1.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -0.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246   -0.7893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845   -0.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1104    1.2246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0743    1.7579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573   -0.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0760   -0.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    0.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5026    1.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889    1.3883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5261    0.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9488    1.8413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463    2.1962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598   -0.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560   -0.7893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -1.2883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4489    5.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 21 29  1  0  0  0  0
 10 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3 36  1  1  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  8 40  1  1  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  6  0  0  0
 11 44  1  0  0  0  0
 13 45  1  1  0  0  0
 14 46  1  6  0  0  0
 15 47  1  6  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  1  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  1  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
M  END
$$$$
859
  Mrv2314 01052423262D          

 65 66  0  0  1  0            999 V2000
    2.2560    3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459    3.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9058    3.1084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1758    2.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957    3.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744    4.0439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    2.6407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2546    2.7966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5246    3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    3.7321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8748    3.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6048    2.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946    2.1730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5246    1.3934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0647    0.7698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8748    0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449    1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946   -0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657    0.3020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9058    0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159    0.7698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2560    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062    1.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362    0.4579    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9860   -0.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358   -0.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6048    4.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    2.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    3.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119    4.3863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544    4.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    4.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159    2.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530    2.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199    1.5187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180    1.9686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845    2.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    3.8911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219    4.3759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449    3.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6544    2.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    1.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2546    0.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6048    0.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6544    0.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550    1.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -0.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246   -0.7893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845   -0.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1104    1.2246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0743    1.7579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573   -0.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0760   -0.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    0.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5026    1.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889    1.3883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5261    0.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9488    1.8413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463    2.1962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560   -0.7893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -1.2883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4489    5.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 21 29  1  0  0  0  0
 10 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3 36  1  1  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  8 40  1  1  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  6  0  0  0
 11 44  1  0  0  0  0
 13 45  1  1  0  0  0
 14 46  1  6  0  0  0
 15 47  1  6  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  1  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  1  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 28 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
M  CHG  1  27  -1
M  END
$$$$
860
  Mrv2314 01052423262D          

 49 52  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6687   -4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339   -4.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7402   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534   -3.9425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8987   -5.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1039   -5.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 21 25  4  0  0  0  0
  9 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  5 32  1  0  0  0  0
  8 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
$$$$
861
  Mrv2314 01052423262D          

 54 57  0  0  1  0            999 V2000
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5484    1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    0.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4136    2.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    1.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872    2.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    2.3697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    2.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772    2.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    2.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431    1.7592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -1.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -0.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6210    2.9282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093    1.6043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    2.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    2.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496    2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5060    2.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1973    1.8895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143    1.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    2.9306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  6  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 18  1  0  0  0  0
 24 25  1  1  0  0  0
  4 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  6  0  0  0
  5 33  1  6  0  0  0
  6 34  1  1  0  0  0
  7 35  1  6  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 19 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END
$$$$
862
  Mrv2314 01052423262D          

 52 55  0  0  1  0            999 V2000
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872    2.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5484    1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    0.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4136    2.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    1.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    2.3697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    2.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772    2.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    2.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -1.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -0.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6210    2.9282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093    1.6043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    2.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    2.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496    2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6617    2.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  6  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 19  1  0  0  0  0
 25 26  1  1  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  6 32  1  6  0  0  0
  7 33  1  1  0  0  0
  8 34  1  6  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 20 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END
$$$$
863
  Mrv2314 01052423262D          

 38 38  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$
864
  Mrv2314 01052423262D          

 39 40  0  0  0  0            999 V2000
   -2.6664   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -3.1895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    0.3829    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -1.0461    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -3.9039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7389   -4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235   -3.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7389   -3.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -1.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3809   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0787   -2.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571   -3.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7397   -2.0217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -1.6514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -4.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4978   -3.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1731   -1.6514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682   -2.0217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    0.3829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -1.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839   -5.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1909   -4.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9938   -4.0211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
  9 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
 10 35  1  0  0  0  0
 12 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$
865
  Mrv2314 01052423262D          

 49 52  0  0  0  0            999 V2000
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085   -0.9723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 11 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 21 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$
866
  Mrv2314 01052423262D          

 29 31  0  0  0  0            999 V2000
    0.6171   -3.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526   -3.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526   -2.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372   -2.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922   -1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2222   -2.7452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372   -3.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922   -4.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   -3.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597   -3.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972   -4.1741    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6972   -1.3163    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6171   -1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1366   -3.5758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815   -4.6651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707   -4.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0959   -1.9909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5457   -2.4879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472   -1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5222   -2.7452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472   -4.1741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409   -1.5358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719   -0.7944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0242   -1.0599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
  4 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 15 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$
867
  Mrv2314 01052423262D          

 41 41  0  0  0  0            999 V2000
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -7.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -7.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -1.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -1.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762   -2.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066   -1.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -1.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
 10 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  CHG  4  14   1  16  -1  22   1  24  -1
M  END
$$$$
868
  Mrv2314 01052423262D          

 53 56  0  0  1  0            999 V2000
    6.1111    1.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2939    1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9830    2.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9983    0.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9284    1.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2240    2.3223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977    0.8111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2907   -0.6042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7479   -0.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232   -1.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6974   -1.0295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    2.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315    2.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3859    2.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095    1.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361    2.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806    1.9019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633    2.1219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    1.0533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936    1.9137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2944    2.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950    2.2709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1413    1.6318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 15  1  0  0  0  0
 21 22  1  1  0  0  0
  8 23  1  1  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  4 27  1  6  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  6  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  6  0  0  0
 12 38  1  1  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END
$$$$
869
  Mrv2314 01052423262D          

 40 42  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.6574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  7 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
870
  Mrv2314 01052423262D          

 40 42  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2978    4.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824    3.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  4 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$
871
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$
872
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$
873
  Mrv2314 01052423262D          

 28 28  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955   -1.9077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$
874
  Mrv2314 01052423262D          

 52 53  0  0  0  0            999 V2000
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -6.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -5.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6333   -5.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1446   -5.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0797   -4.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9769   -7.1482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6066   -7.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6066   -8.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9769   -9.3518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  6 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END
$$$$
875
  Mrv2314 01052423262D          

 33 32  0  0  0  0            999 V2000
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3203    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1521    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8666    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6071    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7927    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    1.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
$$$$
876
  Mrv2314 01052423262D          

 50 51  0  0  0  0            999 V2000
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104    0.8458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424    0.5511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380    1.2403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287    2.1225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340    2.9905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232    3.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    2.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8247    1.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246    0.0056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2312    2.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    2.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    2.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815    1.6980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112    2.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112    0.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815    0.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -1.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -1.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  3  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$
877
  Mrv2314 01052423262D          

 37 36  0  0  0  0            999 V2000
    4.1250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5395    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520    2.2525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107    1.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910   -0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582   -0.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -3.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -3.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4997   -1.0836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387   -1.5152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7531   -0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
 10 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
$$$$
878
  Mrv2314 01052423262D          

 39 41  0  0  0  0            999 V2000
    1.7735    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    0.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590   -1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7264   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915   -1.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -3.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -3.7281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -3.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791   -4.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873   -4.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053   -4.5530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1036   -2.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813   -3.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9314   -3.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039   -3.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5262   -2.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761   -2.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540   -3.7904    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4912   -4.0593    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5985    0.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    1.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9485    0.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -0.5989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971    0.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056    0.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354   -0.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389   -1.7753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995   -1.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752   -3.1873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1511   -2.6693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302   -2.8483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2340   -5.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090   -4.7462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1987   -2.1477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6985   -1.4609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 16 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 11 35  1  0  0  0  0
 13 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$
879
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714   -0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714    0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8951    1.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
$$$$
880
  Mrv2314 01052423262D          

 30 30  0  0  0  0            999 V2000
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2499    0.7435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$
881
  Mrv2314 01052423262D          

 44 45  0  0  0  0            999 V2000
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -3.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -4.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -5.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -3.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4521   -3.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974   -5.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -5.1507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -5.9907    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    1.0468   -6.6581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -7.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142   -6.1732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317   -7.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522   -7.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8371   -7.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -8.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811   -8.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757   -8.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093   -7.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401   -8.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -9.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647   -2.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938   -3.8912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3947   -4.3530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877   -6.4856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576   -7.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -9.3279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3455   -9.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954   -9.6728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895  -10.3402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100  -10.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  CHG  1  14  -1
M  END
$$$$
882
  Mrv2314 01052423262D          

 54 55  0  0  1  0            999 V2000
    1.6204    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.5395    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3566   -2.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.2539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    0.9059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    0.9742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    0.2337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799   -1.6591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413   -1.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8894   -3.0399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4716   -3.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833   -1.9693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039   -2.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550   -1.8613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552   -3.7778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7908   -3.4123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8968   -2.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7152   -2.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1544   -2.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5751   -1.4653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  6 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  6  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END
$$$$
883
  Mrv2314 01052423262D          

 40 41  0  0  0  0            999 V2000
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4179    1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9270    1.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4912    0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0024    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375    1.9843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  9 18  4  0  0  0  0
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$
884
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$
885
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
   -0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  3  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
$$$$
886
  Mrv2314 01052423262D          

 44 45  0  0  0  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -5.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -6.0770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -4.6480    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837   -3.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488   -5.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -6.0518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -6.5122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -6.5122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 13 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$
887
  Mrv2314 01052423262D          

 51 54  0  0  0  0            999 V2000
   -0.2902    2.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    1.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243    1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047    1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192    1.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243   -1.7779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743   -2.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743    0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948    0.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    1.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454    2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    2.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894    1.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    2.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    2.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9622    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5348    2.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    3.2695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152    2.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105    2.0275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -0.0305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192    2.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -0.5716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8234   -1.4851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174   -1.5728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1441   -0.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4508    1.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344    0.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6287    3.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668    3.6363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687    3.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906    3.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810    0.2232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626    0.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097    1.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 22 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  6 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 23 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$
888
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  4 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$
889
  Mrv2314 01052423262D          

 45 47  0  0  0  0            999 V2000
    0.4448   -7.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -7.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -6.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -5.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738   -5.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738   -4.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -4.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -3.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738   -3.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882   -3.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882   -4.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027   -4.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172   -4.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7316   -4.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -4.6161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0373   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6248   -5.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8179   -5.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8578   -5.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1934   -4.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0139   -4.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4988   -4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1632   -5.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3427   -5.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   -4.8843    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5882   -6.1892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882   -7.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323   -6.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697   -7.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   -8.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -4.9517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -3.3017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738   -2.4767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027   -3.3017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324   -5.6889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -5.6889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9604   -6.6974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048   -6.3242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7085   -3.7219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3494   -3.5494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6481   -6.3916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072   -6.5641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632   -7.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882   -7.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -7.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
$$$$
890
  Mrv2314 01052423262D          

 39 40  0  0  0  0            999 V2000
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -3.3769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070   -3.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8945   -4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744   -5.0850    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2301   -5.4582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505   -5.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5355   -4.8770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3861   -6.2981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1275   -3.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -4.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -4.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -2.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7150   -4.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2137   -4.7243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480   -3.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0412   -3.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 16 24  1  0  0  0  0
 11 25  1  0  0  0  0
  9 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
 10 34  1  0  0  0  0
 13 35  1  0  0  0  0
 21 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$
891
  Mrv2314 01052423262D          

 26 29  0  0  0  0            999 V2000
    5.4434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  4 14  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
  3 16  4  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$
892
  Mrv2314 01052423262D          

 49 50  0  0  0  0            999 V2000
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.3343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0206   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9197   -2.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9382   -2.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161   -1.3343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9009   -3.2144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -4.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430   -3.2144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -7.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350   -8.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5562   -8.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7306   -8.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518   -8.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527   -7.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 19 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
$$$$
893
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9616    0.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$
894
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  4 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
$$$$
895
  Mrv2314 01052423262D          

 43 45  0  0  0  0            999 V2000
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$
896
  Mrv2314 01052423262D          

 31 32  0  0  0  0            999 V2000
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  4 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  CHG  1  19  -1
M  END
$$$$
897
  Mrv2314 01052423262D          

 32 34  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  1  0  0  0  0
  4 21  1  0  0  0  0
  3 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  5 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
$$$$
898
  Mrv2314 01052423262D          

 20 21  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  1 10  4  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  7 18  1  0  0  0  0
  9 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
$$$$
899
  Mrv2314 01052423262D          

 48 51  0  0  1  0            999 V2000
   -6.8562   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1418   -1.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4273   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7128   -1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -3.0541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7128   -3.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4273   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -0.5791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5694   -0.1666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5694    0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549    1.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7174    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174   -0.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549   -0.5791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405    0.6584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4260    1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    1.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983   -0.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2687   -1.1021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5707   -2.2291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4437   -2.5310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7128   -0.5791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549   -1.4041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549   -3.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7128   -3.8791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1418   -3.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694   -0.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839    0.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127    1.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2014    1.1887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4740    1.8027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4718    0.1869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1674   -0.1705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352    0.7462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3825    0.4591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6871   -0.8558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169   -0.2145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    0.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990    1.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2885    2.3084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405    2.3084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4108    0.5479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  3 12  4  0  0  0  0
 13  6  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 13 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  4 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  1  0  0  0
 14 34  1  6  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  6  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  6  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$
900
  Mrv2314 01052423262D          

 17 18  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$
901
  Mrv2314 01052423262D          

 38 41  0  0  0  0            999 V2000
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007   -3.7080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -3.8795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0202   -3.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -2.5519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9432   -4.6332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 22 26  4  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 18 36  1  0  0  0  0
 21 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$
902
  Mrv2314 01052423262D          

 28 30  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
  8 17  4  0  0  0  0
 12 18  1  0  0  0  0
 10 19  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
 11 25  1  0  0  0  0
 13 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$
903
  Mrv2314 01052423262D          

 61 65  0  0  0  0            999 V2000
    1.3420    6.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1489    6.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039    6.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518    5.3888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0449    5.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7899    6.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5547    3.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8097    3.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577    2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126    1.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9606    1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536    1.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014    2.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507    2.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4663    7.7737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620    7.5448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    7.0867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671    7.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480    5.4865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020    6.2108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764    5.2602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267    4.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1458    6.8604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0082    6.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509    4.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049    4.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106    4.5066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566    3.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196    1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    0.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    2.3234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9577    0.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    0.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 25 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 31 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END
$$$$
904
  Mrv2314 01052423262D          

 43 43  0  0  0  0            999 V2000
   -0.9836   -4.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836   -3.8350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2691   -3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2691   -2.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836   -2.1850    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9836   -1.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -2.5975    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4454   -3.8350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598   -3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888   -3.4225    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177   -3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1040   -2.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9109   -2.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234   -3.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -3.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1439   -3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4795   -3.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -4.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9946   -4.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086   -4.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836   -5.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -4.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -3.4225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -2.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -4.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301   -2.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7896   -2.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6735   -4.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909   -2.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2465   -1.6768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8768   -2.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2777   -2.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2137   -4.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1204   -4.1573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3862   -3.2506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3271   -4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5096   -5.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6620   -5.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  CHG  2   5   1   7  -1
M  END
$$$$
905
  Mrv2314 01052423262D          

 69 71  0  0  1  0            999 V2000
   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0973    0.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980   -1.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.4305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595   -0.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3033   -0.1331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4907    0.1226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2216   -1.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105   -1.4731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -0.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.1214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -3.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -2.6183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5061   -1.8301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0925   -1.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1265   -2.9155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -2.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4235   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -3.7219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -4.1242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  6  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 30 67  1  0  0  0  0
 30 68  1  0  0  0  0
 33 69  1  0  0  0  0
M  END
$$$$
906
  Mrv2314 01052423262D          

 84 89  0  0  1  0            999 V2000
    6.4664    2.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    1.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2002    1.0376    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4723    0.2588    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9339   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1234   -0.2126    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5850   -0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744   -0.6840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2360   -1.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254   -1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533   -0.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    0.0949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0407    0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    0.5662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3896    1.1913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1175    1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559    2.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    2.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0348    2.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2636    0.9538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924   -0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463   -0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316    0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365    0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826    1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    1.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829    0.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8213    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5491    1.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6318    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1702    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9808    1.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2529    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7145   -0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9040   -0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867   -1.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4483   -1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0635    0.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019    0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5192    1.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3297    1.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2770    2.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0048    3.0666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1943    3.2203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280    1.8164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0107    0.8839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8276   -1.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5266   -0.9402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3128   -0.0589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -1.6558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1777   -1.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297   -2.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8287   -1.8829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6638   -1.4723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2248   -1.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301    0.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4623    1.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9079    1.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6618    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5433    2.0019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    3.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7626    3.6815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560    2.6305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    1.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782   -1.2319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7777   -0.2916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508    2.0569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396    1.7468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336    0.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355    0.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8981    1.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3656   -0.8275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8232   -1.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9098   -2.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0734   -2.2985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8740   -0.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4124    0.5866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1403    1.3654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7514    2.2282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1970    2.3334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7913    0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 11 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
  4 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 33 38  4  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 36 41  1  0  0  0  0
 41 42  1  0  0  0  0
 35 43  1  0  0  0  0
 43 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  3 48  1  6  0  0  0
  4 49  1  1  0  0  0
  5 50  1  0  0  0  0
  5 51  1  0  0  0  0
  6 52  1  1  0  0  0
  7 53  1  0  0  0  0
  7 54  1  0  0  0  0
  9 55  1  0  0  0  0
  9 56  1  0  0  0  0
 10 57  1  0  0  0  0
 10 58  1  0  0  0  0
 13 59  1  6  0  0  0
 14 60  1  0  0  0  0
 14 61  1  0  0  0  0
 15 62  1  1  0  0  0
 16 63  1  1  0  0  0
 20 64  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 69  1  0  0  0  0
 27 70  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
 34 74  1  0  0  0  0
 38 75  1  0  0  0  0
 40 76  1  0  0  0  0
 40 77  1  0  0  0  0
 40 78  1  0  0  0  0
 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
 42 81  1  0  0  0  0
 44 82  1  0  0  0  0
 44 83  1  0  0  0  0
 44 84  1  0  0  0  0
M  END
$$$$
907
  Mrv2314 01052423262D          

 51 53  0  0  0  0            999 V2000
    4.9110   -0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9110   -1.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6254   -2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6254   -2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0379   -3.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2129   -3.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643   -4.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3911   -3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524   -4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524   -4.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4669   -3.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1813   -4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8958   -3.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9820   -2.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890   -2.7214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2015   -3.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6495   -4.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0220   -3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3576   -4.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1780   -4.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5136   -5.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0287   -5.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2082   -5.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8726   -4.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1965   -2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360   -0.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9110   -0.1115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860   -0.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3399   -1.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285   -2.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6213   -3.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0722   -4.6920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003   -5.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6734   -4.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9515   -2.9434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663   -3.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9877   -4.3612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8111   -4.8632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5516   -4.8632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3690   -2.3409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8210   -4.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7549   -3.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1558   -2.7081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6630   -3.6946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3341   -5.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3642   -6.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7233   -6.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0522   -4.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -1.3514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538   -1.6567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4065   -2.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  2 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 14 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$
908
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$
909
  Mrv2314 01052423262D          

 29 30  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$
910
  Mrv2314 01052423262D          

 50 50  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018   -1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    1.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8813   -1.9359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089   -1.5658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002   -0.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884   -1.2654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2311   -1.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2717   -1.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2473   -2.0559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4179   -3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 12 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 17 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END
$$$$
911
  Mrv2314 01052423262D          

 64 67  0  0  0  0            999 V2000
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2295   -0.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    2.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 21  1  0  0  0  0
 14 22  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3 39  1  0  0  0  0
  5 40  1  0  0  0  0
  8 41  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 13 45  1  0  0  0  0
 16 46  1  4  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
M  CHG  1  16   1
M  END
$$$$
912
  Mrv2314 01052423262D          

123128  0  0  1  0            999 V2000
    6.0858    2.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2677    2.8175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5261    2.4564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670    1.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3841    1.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8212    2.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6431    2.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9514    0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1277   -0.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4972   -1.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8909   -1.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5355   -1.8651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9721   -2.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4642   -3.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1783   -2.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961   -3.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3136   -2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447   -2.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -2.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895   -1.8533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4610   -2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6403   -1.1573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1053   -1.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865   -0.3688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4251   -0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454    0.4586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4769    0.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    1.2682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2572    1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973    2.0047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2183    2.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2060    2.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934    1.2973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4509    2.6177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9143    3.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1406    3.0695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9245    3.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7596    3.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6141    3.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    3.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2368    4.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5037   -0.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3197   -0.6242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6871    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9752    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3142    0.3885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1277    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6531   -0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667    0.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3650   -0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0260   -0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -0.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    0.6922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667    0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5573   -0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9391    1.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1491    1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8886    2.9015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4158    3.4674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6794    3.4292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2280   -2.3135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6004   -3.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139   -4.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918   -3.4452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629   -3.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -2.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378   -3.0894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180   -1.3188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -1.7591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675   -2.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9954   -3.0162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3859   -0.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292   -1.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981   -0.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410    0.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1264   -0.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259   -1.2077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677    0.3916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2562    0.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2967    0.9908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4887    1.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218    2.3220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1366    0.7294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763    1.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374    3.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850    3.0568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6746    1.9092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9874    1.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    3.7809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3777    3.8710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876    2.7078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041    2.3289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    4.1469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    4.2410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251    4.9501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791    5.3050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    4.6586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3061   -1.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1082    1.7017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5455    1.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5552    1.3299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1637    1.7594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7322    1.0869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0383    1.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9413    0.6624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3884   -0.7949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2397   -0.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9451    0.6985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5919   -0.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0768   -1.6567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1380   -1.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9478   -1.2059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5006    0.2515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0371   -1.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6048   -1.2473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640   -0.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3869    2.1076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591    1.5553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    0.5276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 23 21  1  6  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  6  0  0  0
 36 37  1  0  0  0  0
 36 38  1  6  0  0  0
 38 39  1  1  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
  2 41  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
 12 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 49 54  1  0  0  0  0
 54 55  1  0  0  0  0
 46 55  1  0  0  0  0
 46 56  1  0  0  0  0
 56 57  2  0  0  0  0
 44 57  1  0  0  0  0
  8 57  1  0  0  0  0
  9 58  4  0  0  0  0
 58 59  1  0  0  0  0
 58 60  4  0  0  0  0
  4 60  4  0  0  0  0
 60 61  1  0  0  0  0
  1 62  1  0  0  0  0
  1 63  1  0  0  0  0
  1 64  1  0  0  0  0
 13 65  1  0  0  0  0
 17 66  1  0  0  0  0
 17 67  1  0  0  0  0
 17 68  1  0  0  0  0
 18 69  1  4  0  0  0
 19 70  1  4  0  0  0
 20 71  1  0  0  0  0
 21 72  1  1  0  0  0
 22 73  1  0  0  0  0
 22 74  1  0  0  0  0
 22 75  1  0  0  0  0
 23 76  1  1  0  0  0
 24 77  1  0  0  0  0
 25 78  1  6  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 26 81  1  0  0  0  0
 27 82  1  6  0  0  0
 28 83  1  0  0  0  0
 29 84  1  6  0  0  0
 30 85  1  0  0  0  0
 30 86  1  0  0  0  0
 30 87  1  0  0  0  0
 31 88  1  1  0  0  0
 34 89  1  0  0  0  0
 34 90  1  0  0  0  0
 34 91  1  0  0  0  0
 36 92  1  1  0  0  0
 37 93  1  0  0  0  0
 37 94  1  0  0  0  0
 37 95  1  0  0  0  0
 38 96  1  6  0  0  0
 39 97  1  4  0  0  0
 40 98  1  0  0  0  0
 43 99  1  0  0  0  0
 43100  1  0  0  0  0
 43101  1  0  0  0  0
 45102  1  0  0  0  0
 47103  1  0  0  0  0
 47104  1  0  0  0  0
 48105  1  0  0  0  0
 48106  1  0  0  0  0
 50107  1  0  0  0  0
 50108  1  0  0  0  0
 51109  1  0  0  0  0
 52110  1  0  0  0  0
 52111  1  0  0  0  0
 52112  1  0  0  0  0
 53113  1  0  0  0  0
 53114  1  0  0  0  0
 53115  1  0  0  0  0
 54116  1  0  0  0  0
 54117  1  0  0  0  0
 55118  1  0  0  0  0
 55119  1  0  0  0  0
 59120  1  0  0  0  0
 61121  1  0  0  0  0
 61122  1  0  0  0  0
 61123  1  0  0  0  0
M  END
$$$$
913
  Mrv2314 01052423262D          

117121  0  0  1  0            999 V2000
   11.5660    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7045    1.4942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1932    0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5318    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7644    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9427   -0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1151    0.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6532   -0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3165    0.2677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4159    1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3492    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6086    2.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9150    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9892    1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3597    0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1766    2.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419    3.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    3.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5725    3.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1778    4.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9800    4.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339    4.8145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9946    4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    5.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719    6.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8925    6.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321    6.1612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5232    5.8683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2217    5.3495    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7367    4.6760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0481    3.9037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1477    3.0788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0303    2.2572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8909    2.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0144    3.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8932    4.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5087    5.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    6.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8411    6.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0834    7.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5655    7.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9615    6.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4361    7.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1492    7.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    5.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3661    3.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    2.1408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7493    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0322    1.7992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5896    1.1972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2599    1.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0115    1.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0929    0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4226    0.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8151   -0.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974   -0.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0341    0.6055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9326    0.4971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3899    1.2782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1766    2.1282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5877    0.1174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2665    0.7194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8216   -0.7897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8707   -0.4265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722    0.9373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7112    6.7541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9658    5.4008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5571    5.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1301    5.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6425    4.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0200    4.2675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2491    3.6982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3227    3.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4221    1.5312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3582    2.7828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5966    3.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9545    3.9016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7273    2.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0283    4.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7894    5.8188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1047    5.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5764    4.2208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0320    6.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2460    7.8729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0990    8.0868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3761    7.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1440    6.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4783    5.9924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280    8.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8770    8.6044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    7.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731    5.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    6.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4896    5.6086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163    4.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    4.0575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159    2.9603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317    1.3626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5739    2.9887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4614    0.6435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5556    2.4484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    2.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2172    1.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5462    0.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3367   -0.7843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9735   -0.5779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0935    0.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8518    0.4742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1340   -0.5267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0541   -0.8507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6400   -0.0708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9035   -0.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4731   -1.7399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913   -1.1703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  1  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 14 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 13 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 21  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 27  1  6  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  6  0  0  0
 32 33  1  6  0  0  0
 33 34  1  6  0  0  0
 34  2  1  0  0  0  0
 34 35  1  1  0  0  0
 33 36  1  0  0  0  0
 32 37  1  0  0  0  0
 31 38  1  0  0  0  0
 30 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 29 43  1  0  0  0  0
 28 44  1  0  0  0  0
 44 45  1  0  0  0  0
 23 46  1  1  0  0  0
 18 47  1  0  0  0  0
 17 48  1  0  0  0  0
 12 49  1  0  0  0  0
 11 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 52 57  1  0  0  0  0
 55 58  1  0  0  0  0
  6 59  1  0  0  0  0
  1 60  1  0  0  0  0
  1 61  1  0  0  0  0
  1 62  1  0  0  0  0
  2 63  1  6  0  0  0
  3 64  1  0  0  0  0
  4 65  1  0  0  0  0
  5 66  1  0  0  0  0
  9 67  1  0  0  0  0
 16 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 71  1  1  0  0  0
 29 72  1  6  0  0  0
 30 73  1  6  0  0  0
 31 74  1  1  0  0  0
 32 75  1  1  0  0  0
 33 76  1  1  0  0  0
 34 77  1  6  0  0  0
 35 78  1  0  0  0  0
 36 79  1  0  0  0  0
 36 80  1  0  0  0  0
 36 81  1  0  0  0  0
 37 82  1  0  0  0  0
 38 83  1  0  0  0  0
 38 84  1  0  0  0  0
 38 85  1  0  0  0  0
 42 86  1  0  0  0  0
 42 87  1  0  0  0  0
 42 88  1  0  0  0  0
 43 89  1  0  0  0  0
 43 90  1  0  0  0  0
 43 91  1  0  0  0  0
 45 92  1  0  0  0  0
 45 93  1  0  0  0  0
 45 94  1  0  0  0  0
 46 95  1  0  0  0  0
 46 96  1  0  0  0  0
 46 97  1  0  0  0  0
 47 98  1  0  0  0  0
 47 99  1  0  0  0  0
 47100  1  0  0  0  0
 48101  1  0  0  0  0
 49102  1  0  0  0  0
 50103  1  0  0  0  0
 53104  1  0  0  0  0
 53105  1  0  0  0  0
 54106  1  0  0  0  0
 54107  1  0  0  0  0
 56108  1  0  0  0  0
 56109  1  0  0  0  0
 57110  1  0  0  0  0
 57111  1  0  0  0  0
 58112  1  0  0  0  0
 58113  1  0  0  0  0
 58114  1  0  0  0  0
 59115  1  0  0  0  0
 59116  1  0  0  0  0
 59117  1  0  0  0  0
M  END
$$$$
914
  Mrv2314 01052423262D          

 45 46  0  0  0  0            999 V2000
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298   -2.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0903   -1.7399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8756   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3046   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1296   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 15 37  1  0  0  0  0
 18 38  1  0  0  0  0
 22 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
$$$$
915
  Mrv2314 01052423262D          

 57 61  0  0  0  0            999 V2000
    1.2039   -1.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1551   -2.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -1.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141   -2.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -1.1711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240   -0.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789   -0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7269    0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199    0.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420   -0.7295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0998   -2.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9068   -3.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617   -3.8680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687   -4.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236   -4.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716   -5.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8646   -5.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097   -4.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -6.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4416   -6.8893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -7.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112   -7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112   -6.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256   -6.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -6.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256   -7.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546   -7.7143    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -2.4926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109   -1.8572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754   -0.8787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7925   -1.2997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2422   -1.7952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231    0.3005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0771   -0.4238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6026    1.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515    0.5268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018    1.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6686   -3.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1183   -3.7075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307   -3.0402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3548   -3.6965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7372   -3.7394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1869   -3.2439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8678   -5.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0218   -4.6152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1196   -6.0503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401   -5.2369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145   -5.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -4.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -4.6526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9691   -5.4436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546   -6.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256   -8.5393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 21 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 28 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END
$$$$
916
  Mrv2314 01052423262D          

 98101  0  0  1  0            999 V2000
   -7.1293   -7.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4190   -7.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4275   -6.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7004   -7.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9502   -7.3247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3919   -7.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7971   -8.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6058   -8.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0806   -8.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4084   -9.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2611   -8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332   -7.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7693   -9.0677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -8.9731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6220   -8.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976   -8.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1137   -7.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4580   -9.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859  -10.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3615   -9.5409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532  -10.2033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5254  -10.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171  -11.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8367  -11.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284  -12.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0006  -12.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811  -13.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6893  -12.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6728  -10.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1645  -10.7712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9841  -10.6765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4758  -11.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2954  -11.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6232  -10.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4427  -10.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9345  -11.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067  -11.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7871  -11.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3119   -9.9194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8202   -9.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0006   -9.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480   -8.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6563   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841   -7.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7893   -6.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8671   -6.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100   -5.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5643   -6.3702    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3443  -11.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5491   -6.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8395   -8.1024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7095   -8.3928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1377   -6.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6285   -6.6432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0223   -5.7192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0168   -5.8605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4538   -9.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396   -7.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6192   -7.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -8.9292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7363  -10.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514   -9.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -9.8248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415   -8.3107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1302   -8.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -8.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600   -7.6297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1059   -7.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -7.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859   -6.7965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6054   -6.8912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239   -9.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337  -10.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653  -11.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0711  -11.6491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450  -10.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340  -12.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923  -13.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532  -13.7994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428  -12.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811   -9.4463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923  -10.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369  -11.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036  -10.5819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1624  -12.1021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703  -12.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5286   -9.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7706   -9.6355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7540  -10.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0984  -12.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4593  -12.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743   -9.4277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8814   -7.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9663   -8.2899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4080   -7.4464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9302   -4.9463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662  -11.9756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 22 30  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
 32 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 48 49  4  0  0  0  0
 45 49  4  0  0  0  0
 31 50  1  1  0  0  0
  1 51  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  2 54  1  0  0  0  0
  3 55  1  0  0  0  0
  3 56  1  0  0  0  0
  3 57  1  0  0  0  0
  7 58  1  0  0  0  0
  9 59  1  0  0  0  0
  9 60  1  0  0  0  0
 11 61  1  0  0  0  0
 11 62  1  0  0  0  0
 11 63  1  0  0  0  0
 14 64  1  0  0  0  0
 15 65  1  6  0  0  0
 16 66  1  0  0  0  0
 17 67  1  0  0  0  0
 17 68  1  0  0  0  0
 17 69  1  0  0  0  0
 18 70  1  0  0  0  0
 18 71  1  0  0  0  0
 18 72  1  0  0  0  0
 21 73  1  0  0  0  0
 22 74  1  1  0  0  0
 23 75  1  0  0  0  0
 23 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 78  1  0  0  0  0
 27 79  1  0  0  0  0
 28 80  1  0  0  0  0
 29 81  1  0  0  0  0
 30 82  1  0  0  0  0
 30 83  1  0  0  0  0
 31 84  1  6  0  0  0
 32 85  1  6  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 35 88  1  0  0  0  0
 36 89  1  0  0  0  0
 37 90  1  0  0  0  0
 38 91  1  0  0  0  0
 39 92  1  0  0  0  0
 40 93  1  0  0  0  0
 44 94  1  0  0  0  0
 44 95  1  0  0  0  0
 46 96  1  0  0  0  0
 48 97  1  0  0  0  0
 50 98  1  0  0  0  0
M  END
$$$$
917
  Mrv2314 01052423262D          

 46 47  0  0  1  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  6  0  0  0
 12 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$
918
  Mrv2314 01052423262D          

 51 55  0  0  1  0            999 V2000
    7.5691    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8484   -0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8359   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1403    0.0524    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3816   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666    0.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    1.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0141    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908   -0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -0.3333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3425   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5176   -1.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2912   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129    1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378    1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5394    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.3874    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7876    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    1.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0887    1.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3346    2.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353    0.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3587   -0.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9707   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2898    0.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1675    0.7513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1152   -1.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5440   -1.6191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8390    0.4912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8418   -0.8955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5970   -1.0681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2840    2.4867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342    2.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410   -0.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -1.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249   -1.5051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1322   -1.0037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    1.8287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627    1.1081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0427    2.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579    3.2701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3735    2.9853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0668    0.1528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7820   -0.9786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505   -0.6938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 23 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  6  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 14 40  1  1  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 18 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 45  1  1  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$
919
  Mrv2314 01052423262D          

 17 18  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    0.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  6 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$
920
  Mrv2314 01052423262D          

 22 23  0  0  0  0            999 V2000
    4.2135    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143   -0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548   -0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.9103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$
921
  Mrv2314 01052423262D          

 99103  0  0  1  0            999 V2000
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0573   -5.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0522   -2.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630   -2.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -3.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1669   -4.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7713   -5.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394   -4.9292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494   -4.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9165   -4.3035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -4.6732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -5.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -6.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -6.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722   -7.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609   -7.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882   -7.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704   -6.7433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793   -6.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301   -8.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188   -7.9553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -9.3897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062   -8.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622   -4.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5735   -4.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1455   -4.5502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2277   -5.0759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8928   -4.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 39 48  4  0  0  0  0
 19 49  1  1  0  0  0
  1 50  1  0  0  0  0
  1 51  1  0  0  0  0
  1 52  1  0  0  0  0
  3 53  1  0  0  0  0
  3 54  1  0  0  0  0
  3 55  1  0  0  0  0
  4 56  1  0  0  0  0
  4 57  1  0  0  0  0
  4 58  1  0  0  0  0
  5 59  1  0  0  0  0
  8 60  1  6  0  0  0
  9 61  1  0  0  0  0
  9 62  1  0  0  0  0
 10 63  1  6  0  0  0
 11 64  1  0  0  0  0
 11 65  1  0  0  0  0
 12 66  1  0  0  0  0
 12 67  1  0  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 70  1  0  0  0  0
 14 71  1  0  0  0  0
 15 72  1  6  0  0  0
 16 73  1  0  0  0  0
 16 74  1  0  0  0  0
 18 75  1  0  0  0  0
 18 76  1  0  0  0  0
 19 77  1  6  0  0  0
 20 78  1  6  0  0  0
 21 79  1  0  0  0  0
 21 80  1  0  0  0  0
 23 81  1  0  0  0  0
 24 82  1  0  0  0  0
 25 83  1  0  0  0  0
 26 84  1  0  0  0  0
 27 85  1  0  0  0  0
 28 86  1  0  0  0  0
 31 87  1  1  0  0  0
 32 88  1  0  0  0  0
 32 89  1  0  0  0  0
 35 90  1  0  0  0  0
 35 91  1  0  0  0  0
 36 92  1  0  0  0  0
 42 93  1  0  0  0  0
 43 94  1  0  0  0  0
 44 95  1  0  0  0  0
 45 96  1  0  0  0  0
 47 97  1  0  0  0  0
 48 98  1  0  0  0  0
 49 99  1  0  0  0  0
M  END
$$$$
922
  Mrv2314 01052423262D          

 74 80  0  0  0  0            999 V2000
    6.6602    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8582    0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897    0.9251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877    0.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9192    1.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1527    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    2.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5232    1.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3022    2.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5768    3.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9789    2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3349    2.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    1.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6898    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1564    2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720    2.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7225    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    0.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -0.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110   -1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570   -1.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4056   -1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141   -0.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0596   -2.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050   -3.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676   -3.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4761   -2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8221   -1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0216   -3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991   -4.3356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7765   -4.6118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2794   -3.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8128   -3.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1041   -3.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1885   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8536   -0.2813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    0.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4668    1.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2944   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047   -0.4847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9239    0.1294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342   -0.0802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528    1.0241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    0.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7041    2.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2982    3.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    1.2518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3421    1.8165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9988    3.3741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5056    3.7317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087    0.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8005    3.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    2.8263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0893    2.2925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1018    1.2553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324    0.5565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735   -1.6262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -2.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2766   -0.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759    0.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4965   -4.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2386   -1.8752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9306   -0.8694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1266   -3.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9288   -4.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0817   -4.8049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425   -3.6378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800   -3.9528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5740   -3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
  6 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 31 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 34 38  4  0  0  0  0
 37 39  1  0  0  0  0
 29 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2 44  1  0  0  0  0
  2 45  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  7 50  1  0  0  0  0
  7 51  1  0  0  0  0
  8 52  1  0  0  0  0
  8 53  1  0  0  0  0
  9 54  1  0  0  0  0
  9 55  1  0  0  0  0
 13 56  1  0  0  0  0
 16 57  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
 30 66  1  0  0  0  0
 32 67  1  0  0  0  0
 33 68  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 40 72  1  0  0  0  0
 40 73  1  0  0  0  0
 40 74  1  0  0  0  0
M  END
$$$$
923
  Mrv2314 01052423262D          

 48 49  0  0  1  0            999 V2000
    1.6418    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    4.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6814    4.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5064    4.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9913    5.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7613    4.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0939    3.6658    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0939    2.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084    2.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228    2.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084    1.6033    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2209    0.8888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3959    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472    0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740    0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353    0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353   -0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2209   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965    5.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    6.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471    7.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869    4.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8572    3.6408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8968    3.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3344    3.5573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588    3.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115    1.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    1.4722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.0897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832   -0.6831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563   -0.0198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344    1.6588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493    0.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707    0.2410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498    0.8888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373   -1.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3643   -1.1737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   -0.0467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3986   -0.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9809   -1.5505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669   -1.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246    5.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5020    5.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3525    6.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827    7.7776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266    6.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  1  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  1  0  0  0
 11 29  1  1  0  0  0
 12 30  1  6  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$
924
  Mrv2314 01052423262D          

 22 22  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$
925
  Mrv2314 01052423262D          

 43 46  0  0  1  0            999 V2000
    0.0005    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255    1.2684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572    0.3415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8615    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615    2.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572    2.1953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4122    1.6809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4122    0.8559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3023    1.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0445    1.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570    0.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0445   -0.1606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820    0.5539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6945    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195    1.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6945   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9320   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195   -1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6945   -1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831    0.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.4434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156    2.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736   -0.4628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0451   -0.2792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    0.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584    1.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9768    2.8286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471    1.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736    2.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3194    2.5007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586    0.0322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8695    1.2684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9766    2.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    2.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2512    0.8874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9320    0.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7570   -0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9320   -2.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -2.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570   -0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  1  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  1  0  0  0
  8 33  1  6  0  0  0
  9 34  1  6  0  0  0
 14 35  1  1  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$
926
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756    3.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053    3.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    1.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$
927
  Mrv2314 01052423262D          

 51 51  0  0  0  0            999 V2000
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670    0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6571    2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433    0.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536    0.8438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8639    0.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291    1.4492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    1.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3536    2.6223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0156    3.5833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0019    3.4835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 10 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  END
$$$$
928
  Mrv2314 01052423262D          

 63 66  0  0  0  0            999 V2000
   -1.4604    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -0.2854    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5154   -0.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3404    0.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    1.9652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153    2.4949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2450    1.4553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    0.6255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700    1.0542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803    1.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    2.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7271    0.4518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866    0.4518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8950   -0.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5247   -0.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866   -2.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7271   -2.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8188   -1.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891   -2.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3733   -2.6499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1983   -1.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196    1.6376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9415    2.1329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.0932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -1.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534   -2.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -2.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
 15 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
  6 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
 11 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 19 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END
$$$$
929
  Mrv2314 01052423262D          

 25 25  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$
930
  Mrv2314 01052423262D          

 68 70  0  0  1  0            999 V2000
   -1.4289   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8975    0.0751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433   -0.7361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587   -1.3963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040    0.2538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861    0.7425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9457    0.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350   -0.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2929   -0.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980   -0.5558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609    1.3553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722    1.6375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980    1.3808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029    1.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465    4.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9472   -2.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2780   -2.4611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 22 28  1  0  0  0  0
 24 29  1  0  0  0  0
 11 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  9 42  1  1  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 45  1  1  0  0  0
 12 46  1  0  0  0  0
 14 47  1  1  0  0  0
 15 48  1  6  0  0  0
 16 49  1  6  0  0  0
 17 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 59  1  1  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  6  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 30 68  1  0  0  0  0
M  END
$$$$
931
  Mrv2314 01052423262D          

 44 47  0  0  0  0            999 V2000
    2.9622    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948    0.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743    0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894    1.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    2.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    2.8117    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1454    2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    2.9842    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6303    1.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4508    1.6493    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -0.0305    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047    1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192    1.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    1.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    2.4445    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4243    1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763    1.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650   -1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650   -0.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810    0.2232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626    0.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097    1.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8098    1.4768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170   -0.6654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192    2.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9879    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883    2.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    1.7952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1272   -0.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954   -1.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  2  9  4  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 12 20  4  0  0  0  0
 20 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  4 35  1  0  0  0  0
 13 36  1  0  0  0  0
 17 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  CHG  1   8  -1
M  END
$$$$
932
  Mrv2314 01052423262D          

 14 15  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  CHG  1  10  -1
M  END
$$$$
933
  Mrv2314 01052423262D          

 14 14  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  CHG  3   7   1   9  -1  10  -1
M  END
$$$$
934
  Mrv2314 01052423262D          

 19 19  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  6 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  1  12  -1
M  END
$$$$
935
  Mrv2314 01052423262D          

 16 17  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    0.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  CHG  1   9  -1
M  END
$$$$
936
  Mrv2314 01052423262D          

 56 57  0  0  0  0            999 V2000
   -0.6865   -2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280   -2.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4569   -2.0248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4569   -1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1714   -0.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1714   -2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8859   -2.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721   -1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7791   -1.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916   -1.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396   -2.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765   -1.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4970   -1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8325   -1.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3476   -2.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5271   -2.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530   -2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4735   -2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5668   -2.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7393   -1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990   -1.7228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009   -2.8498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2740   -3.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -1.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3423   -1.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3722   -3.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127   -3.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036   -0.5105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6333   -1.1518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721   -0.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1535    0.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4525   -0.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011   -3.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -3.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291   -2.8486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453   -1.5947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852   -1.7563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230   -0.3311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4514   -0.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3172   -1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0553   -0.5586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1681   -2.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -3.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5472   -3.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0539   -3.1767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0121   -1.8335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3873   -2.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2940   -2.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5597   -1.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8367   -3.2106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3742   -3.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0429   -3.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3540   -0.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7441   -0.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619   -1.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
M  END
$$$$
937
  Mrv2314 01052423262D          

 47 53  0  0  1  0            999 V2000
    3.5596   -2.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995   -3.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450   -3.1888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8516   -3.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2564   -2.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9481   -1.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1017   -0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282   -0.2656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6836   -0.3242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2065    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3682    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9251    1.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9599   -0.4325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3915   -1.1253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2505   -1.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6662   -1.7170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1331   -2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813   -2.4665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9593   -1.9331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1849   -1.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727   -1.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -1.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637   -0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804   -0.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884   -2.4601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721   -3.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139   -4.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2381   -4.2402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9833   -3.8917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5791   -3.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6497   -2.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9149   -1.0242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7136   -0.3321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1102   -1.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8618    0.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990    1.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7495   -0.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865   -1.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6232   -2.5409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0726   -2.9259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212   -1.9565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9317   -2.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127   -2.6010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438   -2.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348   -0.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    0.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16  5  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18  3  1  0  0  0  0
 19 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19  1  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 13 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  9 35  1  1  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 14 38  1  6  0  0  0
 15 39  1  1  0  0  0
 16 40  1  1  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  1  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END
$$$$
938
  Mrv2314 01052423262D          

 16 16  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$
939
  Mrv2314 01052423262D          

 26 27  0  0  1  0            999 V2000
    2.5600    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620    0.6773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6773    0.9323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    1.7573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4620    2.0122    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989    2.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0692    2.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    1.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    0.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169   -0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649   -0.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239   -0.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    1.1123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3805    1.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9719    2.6116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2768    0.5483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    2.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612    2.5542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9445    1.9708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303   -0.8381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377   -0.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544    0.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3832    0.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  3 12  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  2 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  1  0  0  0
  5 20  1  6  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$
940
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
  4 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  8 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$
941
  Mrv2314 01052423262D          

 33 35  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8 26  1  0  0  0  0
 11 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$
942
  Mrv2314 01052423262D          

 42 44  0  0  0  0            999 V2000
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -6.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -7.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 17 14  1  4  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 20 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  END
$$$$
943
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -6.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955   -6.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2432   -6.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781   -5.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.1768    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -2.3346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1245   -0.9155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -4.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6052   -5.4355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3507   -4.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8941   -5.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0630   -6.1992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
 12 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  8 27  1  0  0  0  0
 13 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$
944
  Mrv2314 01052423262D          

 37 36  0  0  0  0            999 V2000
    0.5230    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.0164    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267    2.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267    1.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267   -2.0751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -3.8743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -1.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318   -0.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733   -1.3548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536   -2.0924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -2.3419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
$$$$
945
  Mrv2314 01052423262D          

 33 34  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  5 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$
946
  Mrv2314 01052423262D          

 46 47  0  0  0  0            999 V2000
    0.7429   -3.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298   -2.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548   -3.0215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097   -3.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347   -3.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -3.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.2991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    2.0009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    2.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6406    2.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2906    2.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656   -1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909   -3.9317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560   -3.8707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950   -2.7055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453   -2.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0791   -1.9685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7949   -4.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -4.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762   -4.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496   -4.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5628   -2.4281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8021   -3.1648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5872   -2.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6818   -1.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -0.9006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -1.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946   -0.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946    1.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    1.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7031    2.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7031    1.2864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5926   -0.9971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946   -2.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7676   -2.4261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 17 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
$$$$
947
  Mrv2314 01052423262D          

 41 42  0  0  0  0            999 V2000
    4.9279    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.1104    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865    1.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115    0.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -1.3268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507   -1.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5154    0.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3404    1.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143   -0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548   -0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.2798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0426   -0.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -0.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7977   -0.0268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0799   -0.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153   -1.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -2.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1624   -2.4920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027   -2.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0638   -1.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  9 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  8 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$
948
  Mrv2314 01052423262D          

 30 31  0  0  0  0            999 V2000
   -1.5356    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    4.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    3.0428    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    7.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    7.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481    6.3047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    5.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231    4.8757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    5.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    6.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    3.5277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    4.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888    3.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    1.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393    1.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    8.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
  2 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$
949
  Mrv2314 01052423262D          

 54 57  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937   -0.4056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630    0.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6499    0.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.1768    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -4.0144    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204   -0.7027    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257    0.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5157   -1.7557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -1.6018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8871   -0.9208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3916   -1.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8497    0.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0786   -0.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410    1.4545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1653    1.3005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774    0.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548    1.2043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -2.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651    0.1462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    0.4014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773   -2.3166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0199   -2.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  0  0  0  0
  4 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
 10 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 19 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
$$$$
950
  Mrv2314 01052423262D          

 29 31  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -0.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  4  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$
951
  Mrv2314 01052423262D          

126129  0  0  1  0            999 V2000
    8.6867    4.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9657    4.4005    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9708    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    2.8642    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0601    2.1658    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1537    1.3461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4907    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7340    1.1840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4443    1.9812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2602    2.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7459    2.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7771    3.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7597    1.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4757    1.3499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3180    2.4744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0164    2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9852    1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2557    0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5573    1.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5885    2.0892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8901    2.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605    2.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212    3.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    3.7920    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2540    4.6164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9836    5.0016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6820    4.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4115    4.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4427    5.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1099    4.5084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8394    4.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378    4.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674    4.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5066    3.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1411    5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8706    5.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690    5.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0148    5.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5557    5.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933    3.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949    3.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    3.4608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0342    2.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    2.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3937    2.6904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3625    3.5148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6330    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609    3.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7904    3.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1232    2.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4622    2.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8023    1.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1331    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9104    1.0174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0040    0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3225    2.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6862    3.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0877    4.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4078    5.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2858    5.5224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9879    5.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481    3.5597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3821    2.9197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9222    2.1558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7533    2.9316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8168    1.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2065    0.0807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9422    0.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3350    1.7492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3276    2.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7637    2.8206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8966    0.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6157    0.6787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    0.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2053    0.0021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598    1.7053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262    0.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6196    2.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5245    4.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2852    5.4408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7131    5.3868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841    3.8397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0241    3.8117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0787    3.6840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8083    4.0692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963    5.6642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2362    4.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1490    2.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6611    2.8196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    3.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523    6.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8884    6.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690    6.3755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8795    6.0432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3159    6.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459    6.6505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5868    5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    5.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8261    4.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    4.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638    3.0216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1467    1.8191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3293    1.7233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8259    1.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    3.1296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313    4.3392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6018    4.7244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6641    3.0756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9737    4.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6149    3.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0339    2.7805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5624    1.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835    1.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314    1.8026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.9676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1243    1.9332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6122   -0.0211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923   -0.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9328    0.4161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844    0.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0977   -0.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8237    0.2913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066    3.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    3.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346    4.4714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 28  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
  2 33  1  0  0  0  0
 32 34  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 26 38  1  0  0  0  0
 25 39  1  0  0  0  0
 24 40  1  0  0  0  0
 40 41  2  0  0  0  0
 42 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 45 44  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 42 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 45 50  1  0  0  0  0
 40 51  1  0  0  0  0
  9 52  1  1  0  0  0
  8 53  1  0  0  0  0
  6 54  1  0  0  0  0
 54 55  1  0  0  0  0
  4 56  1  6  0  0  0
 56 57  1  0  0  0  0
  1 58  1  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  2 61  1  1  0  0  0
  3 62  1  0  0  0  0
  3 63  1  0  0  0  0
  4 64  1  1  0  0  0
  5 65  1  1  0  0  0
  6 66  1  6  0  0  0
  7 67  1  0  0  0  0
  7 68  1  0  0  0  0
  8 69  1  6  0  0  0
 16 70  1  0  0  0  0
 16 71  1  0  0  0  0
 17 72  1  0  0  0  0
 17 73  1  0  0  0  0
 18 74  1  0  0  0  0
 18 75  1  0  0  0  0
 19 76  1  0  0  0  0
 19 77  1  0  0  0  0
 20 78  1  6  0  0  0
 24 79  1  1  0  0  0
 25 80  1  1  0  0  0
 26 81  1  6  0  0  0
 27 82  1  0  0  0  0
 27 83  1  0  0  0  0
 30 84  1  1  0  0  0
 31 85  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 34 88  1  0  0  0  0
 34 89  1  0  0  0  0
 34 90  1  0  0  0  0
 35 91  1  0  0  0  0
 35 92  1  0  0  0  0
 36 93  1  0  0  0  0
 37 94  1  0  0  0  0
 37 95  1  0  0  0  0
 38 96  1  0  0  0  0
 39 97  1  0  0  0  0
 39 98  1  0  0  0  0
 39 99  1  0  0  0  0
 41100  1  0  0  0  0
 42101  1  1  0  0  0
 43102  1  0  0  0  0
 43103  1  0  0  0  0
 44104  1  0  0  0  0
 44105  1  0  0  0  0
 45106  1  6  0  0  0
 46107  1  1  0  0  0
 47108  1  0  0  0  0
 47109  1  0  0  0  0
 49110  1  0  0  0  0
 49111  1  0  0  0  0
 49112  1  0  0  0  0
 50113  1  0  0  0  0
 51114  1  0  0  0  0
 51115  1  0  0  0  0
 51116  1  0  0  0  0
 52117  1  0  0  0  0
 53118  1  0  0  0  0
 53119  1  0  0  0  0
 53120  1  0  0  0  0
 55121  1  0  0  0  0
 55122  1  0  0  0  0
 55123  1  0  0  0  0
 57124  1  0  0  0  0
 57125  1  0  0  0  0
 57126  1  0  0  0  0
M  END
$$$$
952
  Mrv2314 01052423262D          

 57 59  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -3.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6052   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  4 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END
$$$$
953
  Mrv2314 01052423262D          

 57 59  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -3.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6052   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  4 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END
$$$$
954
  Mrv2314 01052423262D          

174184  0  0  1  0            999 V2000
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1460    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4315    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7171    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7171    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4315    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 43 48  4  0  0  0  0
 47 49  1  0  0  0  0
 46 50  1  0  0  0  0
 45 51  1  0  0  0  0
 37 52  1  0  0  0  0
 36 53  1  0  0  0  0
 28 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 57 58  4  0  0  0  0
 58 59  4  0  0  0  0
 59 60  4  0  0  0  0
 60 61  4  0  0  0  0
 61 62  4  0  0  0  0
 57 62  4  0  0  0  0
 61 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  2  0  0  0  0
 64 66  1  0  0  0  0
 66 67  4  0  0  0  0
 67 68  4  0  0  0  0
 68 69  4  0  0  0  0
 69 70  4  0  0  0  0
 70 71  4  0  0  0  0
 66 71  4  0  0  0  0
 70 72  1  0  0  0  0
 69 73  1  0  0  0  0
 68 74  1  0  0  0  0
 60 75  1  0  0  0  0
 59 76  1  0  0  0  0
 27 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  2  0  0  0  0
 78 80  1  0  0  0  0
 80 81  4  0  0  0  0
 81 82  4  0  0  0  0
 82 83  4  0  0  0  0
 83 84  4  0  0  0  0
 84 85  4  0  0  0  0
 80 85  4  0  0  0  0
 84 86  1  0  0  0  0
 86 87  1  0  0  0  0
 87 88  2  0  0  0  0
 87 89  1  0  0  0  0
 89 90  4  0  0  0  0
 90 91  4  0  0  0  0
 91 92  4  0  0  0  0
 92 93  4  0  0  0  0
 93 94  4  0  0  0  0
 89 94  4  0  0  0  0
 93 95  1  0  0  0  0
 92 96  1  0  0  0  0
 91 97  1  0  0  0  0
 83 98  1  0  0  0  0
 82 99  1  0  0  0  0
 26100  1  0  0  0  0
100101  1  0  0  0  0
101102  2  0  0  0  0
101103  1  0  0  0  0
103104  4  0  0  0  0
104105  4  0  0  0  0
105106  4  0  0  0  0
106107  4  0  0  0  0
107108  4  0  0  0  0
103108  4  0  0  0  0
107109  1  0  0  0  0
109110  1  0  0  0  0
110111  2  0  0  0  0
110112  1  0  0  0  0
112113  4  0  0  0  0
113114  4  0  0  0  0
114115  4  0  0  0  0
115116  4  0  0  0  0
116117  4  0  0  0  0
112117  4  0  0  0  0
116118  1  0  0  0  0
115119  1  0  0  0  0
114120  1  0  0  0  0
106121  1  0  0  0  0
105122  1  0  0  0  0
  1123  1  0  0  0  0
  3124  1  0  0  0  0
  7125  1  0  0  0  0
  8126  1  0  0  0  0
  9127  1  0  0  0  0
 14128  1  0  0  0  0
 16129  1  0  0  0  0
 19130  1  0  0  0  0
 20131  1  0  0  0  0
 24132  1  0  0  0  0
 24133  1  0  0  0  0
 25134  1  6  0  0  0
 26135  1  1  0  0  0
 27136  1  6  0  0  0
 28137  1  1  0  0  0
 29138  1  6  0  0  0
 35139  1  0  0  0  0
 39140  1  0  0  0  0
 44141  1  0  0  0  0
 48142  1  0  0  0  0
 49143  1  0  0  0  0
 50144  1  0  0  0  0
 51145  1  0  0  0  0
 52146  1  0  0  0  0
 53147  1  0  0  0  0
 58148  1  0  0  0  0
 62149  1  0  0  0  0
 67150  1  0  0  0  0
 71151  1  0  0  0  0
 72152  1  0  0  0  0
 73153  1  0  0  0  0
 74154  1  0  0  0  0
 75155  1  0  0  0  0
 76156  1  0  0  0  0
 81157  1  0  0  0  0
 85158  1  0  0  0  0
 90159  1  0  0  0  0
 94160  1  0  0  0  0
 95161  1  0  0  0  0
 96162  1  0  0  0  0
 97163  1  0  0  0  0
 98164  1  0  0  0  0
 99165  1  0  0  0  0
104166  1  0  0  0  0
108167  1  0  0  0  0
113168  1  0  0  0  0
117169  1  0  0  0  0
118170  1  0  0  0  0
119171  1  0  0  0  0
120172  1  0  0  0  0
121173  1  0  0  0  0
122174  1  0  0  0  0
M  END
$$$$
955
  Mrv2314 01052423262D          

 43 44  0  0  0  0            999 V2000
   -1.1759    1.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904    1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6048    1.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4779    2.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5404    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9529   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5404   -1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9529   -2.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7779   -2.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1904   -1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7779   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1904   -2.7858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884    0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -0.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210   -0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -1.7205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009   -1.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2558   -0.9359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0173    1.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737    0.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    1.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682    1.9064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503    2.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8184    2.7104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4228    2.0212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6694    2.3797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654    2.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7398    2.9978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674   -0.7516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.3813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5883    0.8957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2296    0.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154   -1.3569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5404   -2.7858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0154   -1.3569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1904    0.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019    1.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3855    0.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1363   -0.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933   -2.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    0.3742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
  5 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 17 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
$$$$
956
  Mrv2314 01052423262D          

 54 55  0  0  0  0            999 V2000
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -4.2607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -4.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1557   -1.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151   -2.5575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6329   -3.0462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7401   -1.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4579   -1.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6583   -2.4886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8472   -3.6654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3421   -3.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2982   -2.4954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
 11 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END
$$$$
957
  Mrv2314 01052423262D          

 47 48  0  0  0  0            999 V2000
    3.4656   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -3.0215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -3.8062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -3.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -3.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -2.7666    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -4.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -5.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -4.3874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -5.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2721   -4.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571   -5.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775   -5.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9131   -4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282   -4.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6077   -4.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336   -4.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -4.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473   -3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8198   -5.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6486   -4.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781   -2.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531   -0.5846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2978   -1.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -1.6636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -3.6337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -5.8789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1865   -5.5777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215   -6.3897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -6.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7637   -3.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1228   -3.5474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4678   -3.8031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3745   -4.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6403   -5.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9223   -4.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062   -3.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8816   -3.0983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135   -6.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006   -6.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288   -5.2960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9812   -4.9585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335   -5.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3160   -3.9887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$
958
  Mrv2314 01052423262D          

 43 43  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334    3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    4.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    4.3164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  8 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$
959
  Mrv2314 01052423262D          

 31 31  0  0  0  0            999 V2000
    0.5678    2.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264   -1.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -2.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928    2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572    2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0194    2.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8406    1.3559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0585    1.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770    1.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9761    1.3559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    2.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639    0.0840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9706   -0.6502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2364   -1.5569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -2.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8971   -3.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921   -3.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102   -2.6619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  5  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$
960
  Mrv2314 01052423262D          

 41 42  0  0  1  0            999 V2000
   -1.0164    8.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    7.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    8.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    7.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    6.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    6.4895    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    5.6645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    6.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    5.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    5.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    4.4270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9684    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7948    2.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216    3.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    1.3480    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    2.7770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    8.1395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    8.9645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    8.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    8.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    6.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948    7.1787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590    4.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518    4.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027    2.7339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307    2.1406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6039    2.8038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8819    4.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968    3.7633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9182    3.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  1  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
  4 26  1  0  0  0  0
  3 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 14 33  1  6  0  0  0
 15 34  1  6  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$
961
  Mrv2314 01052423262D          

 69 74  0  0  0  0            999 V2000
   -4.8578    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1434    0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4289    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144    0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6282   -0.5264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607    0.6296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    1.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023    1.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869    1.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    2.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6285    3.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8439    3.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2308    2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416    3.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0262    3.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6393    3.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4678    4.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6832    5.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0701    4.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854    4.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723    4.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1139    5.5136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4453    1.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5723    1.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2703   -0.0079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5136   -0.4432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7731   -0.4432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7991    1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736    1.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025    2.0166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0154    2.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6205    2.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0592    3.6026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238    2.6241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1977    2.5828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4239    3.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0809    5.3008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5116    5.8107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3293    5.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    0.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5357   -1.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337   -2.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067   -2.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -1.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288   -2.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684   -2.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  7 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
  6 28  4  0  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
 37 38  4  0  0  0  0
 30 38  4  0  0  0  0
 38 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2 43  1  0  0  0  0
  2 44  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 27 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 66  1  0  0  0  0
 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
 39 69  1  0  0  0  0
M  END
$$$$
962
  Mrv2314 01052423262D          

 34 36  0  0  0  0            999 V2000
    0.4614   -1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450   -0.5144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6450    1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4493    1.1558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4493   -0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637   -0.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3269    2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5105    3.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0943    3.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    3.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    2.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -1.1351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2779   -2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -1.5023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -0.9815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462   -0.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    0.8317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640    1.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988    3.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0893    4.5566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874    4.0703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545    2.4617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  5 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
 12 28  1  0  0  0  0
 15 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$
963
  Mrv2314 01052423262D          

 44 45  0  0  0  0            999 V2000
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -3.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7402   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
  7 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 13 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$
964
  Mrv2314 01052423262D          

 33 35  0  0  0  0            999 V2000
    4.0668    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    3.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0251    3.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -0.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4793    1.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    2.7604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6543    3.0624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3646    1.6938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102    1.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391    1.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391   -0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  6 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  5 12  4  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$
965
  Mrv2314 01052423262D          

 47 48  0  0  0  0            999 V2000
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011   -3.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -3.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -0.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   -0.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609   -2.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -2.4625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9278   -0.9818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9025   -1.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0825    0.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712    0.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 11 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$
966
  Mrv2314 01052423262D          

 27 27  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$
967
  Mrv2314 01052423262D          

 36 35  0  0  0  0            999 V2000
   -2.0329   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -3.1895    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4948   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1017   -0.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2882   -1.8083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7641    0.4539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7170    0.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093   -0.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6408   -1.8695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230   -1.3808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343   -0.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -0.3139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -0.6526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834    0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
M  END
$$$$
968
  Mrv2314 01052423262D          

 35 35  0  0  0  0            999 V2000
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7815    2.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    2.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090    2.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003    3.7725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4949    4.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1943    5.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085    3.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0956    1.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    0.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    2.7787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
  7 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$
969
  Mrv2314 01052423262D          

 21 20  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607   -1.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020   -2.2525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4150   -0.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2740   -0.9141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216   -1.7821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4925    0.6618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
$$$$
970
  Mrv2314 01052423262D          

 49 52  0  0  1  0            999 V2000
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2939    1.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469    1.7737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6827    2.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8421    2.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438    2.2897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528    2.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9083    1.8978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -1.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -0.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335    0.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977    0.8111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9937    2.0548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095    1.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361    2.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806    1.9019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    1.0533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905    1.9167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 14  1  0  0  0  0
 20 21  1  1  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  6  0  0  0
  6 30  1  1  0  0  0
  7 31  1  6  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  6  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 15 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
$$$$
971
  Mrv2314 01052423262D          

 57 60  0  0  1  0            999 V2000
    7.4347    2.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175    2.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1111    1.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220    0.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2939    1.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3219    1.2263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2520    1.9307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5476    2.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6826    2.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    2.6997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977    0.8111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2907   -0.6042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7479   -0.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232   -1.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6974   -1.0295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    2.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315    2.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3859    2.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095    1.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361    2.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806    1.9019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633    2.1219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    1.0533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936    1.9137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469    1.7737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6827    2.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8421    2.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  1  0  0  0
 10 25  1  1  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  6 31  1  6  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  6  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  6  0  0  0
 14 42  1  1  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 18 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
M  END
$$$$
972
  Mrv2314 01052423262D          

 44 46  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4790    0.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.8949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 24 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 14 40  1  0  0  0  0
 19 41  1  0  0  0  0
 23 42  1  0  0  0  0
 27 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  END
$$$$
973
  Mrv2314 01052423262D          

 53 52  0  0  0  0            999 V2000
   -1.4289    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.3164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.1807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381    2.6185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    1.9772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    2.3019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    2.9432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752    0.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752    0.8861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767   -0.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068    1.0094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3672   -1.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8784   -1.4421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1532   -1.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240   -1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2334   -0.2548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251    2.1506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499    1.4144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960    0.2175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538    1.1238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8857    0.7695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5665    0.0613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0472    2.1344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8691    2.1537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2996    1.4532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    1.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4564    1.9599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6291   -0.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    0.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -0.7978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239   -0.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0428   -0.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789   -0.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
M  CHG  1   5   1
M  END
$$$$
974
  Mrv2314 01052423262D          

  6  5  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
$$$$
975
  Mrv2314 01052423262D          

 34 35  0  0  0  0            999 V2000
   -2.7512    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    6.8277    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946    4.3527    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    2.2902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387    1.0206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186    1.8053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801    2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6091    1.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6091    0.6402    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3235    1.8777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3071    2.5922    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4821    1.1632    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    6.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    4.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946    6.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    3.9402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    2.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    3.3973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991    2.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486    0.3532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6335    3.8045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0037    3.1631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946    1.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  5 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$
976
  Mrv2314 01052423262D          

 56 59  0  0  1  0            999 V2000
    1.6131   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9811   -0.5142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.6765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -1.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7156   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2043   -0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601   -1.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324   -2.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127   -1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5392   -1.9988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2390   -2.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890   -2.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3105   -1.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
  2 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 11 24  1  1  0  0  0
 10 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  2 32  1  6  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  3 36  1  1  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  1  0  0  0
  6 40  1  6  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
$$$$
977
  Mrv2314 01052423262D          

 36 35  0  0  0  0            999 V2000
   -0.1127   -3.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -2.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675   -4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573   -4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476   -3.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177   -2.6369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877   -4.0401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -3.8842    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679   -5.2874    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481   -4.3519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983   -4.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283   -3.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686   -2.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229   -3.2605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432   -3.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2886   -2.3733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889   -2.1309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702   -5.1516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300   -4.6668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -4.3418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3053   -5.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6114   -5.1966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6970   -5.5510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967   -5.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -5.6298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9084   -4.6637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9424   -4.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154   -2.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2556   -3.2574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364   -3.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2909   -2.7333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3742   -2.7276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
$$$$
978
  Mrv2314 01052423262D          

 51 52  0  0  0  0            999 V2000
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -7.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -8.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3716   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -6.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3046   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1296   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -6.3865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
  4 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 19 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
$$$$
979
  Mrv2314 01052423262D          

 13 13  0  0  0  0            999 V2000
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477    0.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8083    1.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0951   -0.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218   -0.5169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728    1.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121    0.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
$$$$
980
  Mrv2314 01052423262D          

 49 51  0  0  0  0            999 V2000
   -5.8804   -3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0554   -3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6429   -2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8179   -2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3557   -3.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753   -3.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6429   -3.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8804   -2.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7054   -3.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8804   -4.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0554   -1.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0314   -3.3363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6868   -1.5435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1249   -4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315   -3.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1948   -2.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8734   -4.2134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1542   -4.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4556   -4.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5014    0.1257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    0.8643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853    0.8643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -0.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    0.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -1.1584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853   -2.2602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258   -2.2602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4655   -3.9048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -4.6110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4051   -4.7583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 23  1  0  0  0  0
  2 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$
981
  Mrv2314 01052423262D          

 23 22  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$
982
  Mrv2314 01052423262D          

 21 22  0  0  0  0            999 V2000
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.0091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534    1.5387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    0.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1806   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  9 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$
983
  Mrv2314 01052423262D          

 21 22  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    1.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  3 13  4  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$
984
  Mrv2314 01052423262D          

 21 23  0  0  0  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    1.1104    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4012    0.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082    2.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$
985
  Mrv2314 01052423262D          

 25 26  0  0  0  0            999 V2000
    2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393   -3.2361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8104   -4.7434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715   -0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430    0.3398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -0.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015    1.6988    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -0.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5166   -1.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772   -1.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2110   -1.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2845   -2.2976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -1.0192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678    1.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050    0.2988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  4  0  0  0
  6  7  3  0  0  0  0
  4  8  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$
986
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
    3.5724    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    5.9411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.9411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.7661    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289    7.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.1786    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    2.9812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    1.5291    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    6.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.1786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0621    5.2464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0621    5.8107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021    3.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426    3.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    4.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    4.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5513    2.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
$$$$
987
  Mrv2314 01052423262D          

 43 44  0  0  0  0            999 V2000
   -4.5317   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1962   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6811   -1.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3757   -1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197   -1.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841   -2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -3.4197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5251   -2.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3455   -2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0600   -2.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8305   -3.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6509   -3.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6744   -4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4949   -3.9147    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3389   -4.7546    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0636   -2.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431   -2.9247    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1499   -3.6590    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9774   -2.0180    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097   -1.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.5465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7781    0.0168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673    0.4349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2854   -0.6543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0167   -0.9862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9396   -2.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8806   -1.5403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4881   -1.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -0.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2419   -0.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5647   -2.2543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4714   -2.9885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7372   -3.8952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0100   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1577   -0.6898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0817    0.0469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349    0.6668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7096    0.6668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$
988
  Mrv2314 01052423262D          

 23 24  0  0  0  0            999 V2000
   -0.1067    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    8.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    6.8277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    5.5902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    5.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    4.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    3.4956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    3.4956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837    4.2803    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    8.4777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    9.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    8.4777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    6.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    7.2402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    6.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032    4.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
 10 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$
989
  Mrv2314 01052423262D          

 32 32  0  0  0  0            999 V2000
    2.0329   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -5.3329    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -1.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -1.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -0.5927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059   -0.2225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059   -3.2986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -2.9283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707   -2.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4495   -3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486   -3.2372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222   -2.0217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3809   -1.6514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -5.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$
990
  Mrv2314 01052423262D          

 36 36  0  0  0  0            999 V2000
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  5 26  1  0  0  0  0
  8 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 15 32  1  0  0  0  0
 18 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$
991
  Mrv2314 01052423262D          

 51 54  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -3.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011   -0.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2617   -0.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1117   -0.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 10 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 20 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$
992
  Mrv2314 01052423262D          

 42 43  0  0  0  0            999 V2000
    2.6969   -2.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -3.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114   -3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114   -4.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -5.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825   -4.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825   -3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -6.0176    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719   -6.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -6.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -6.8426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825   -7.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -6.8426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825   -8.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -8.4926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3296   -9.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7249   -9.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -9.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034   -9.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2020   -8.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863   -8.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -2.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719   -2.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -3.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -5.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -5.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -3.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114   -7.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -8.4926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8908   -9.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523   -9.2536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6019  -10.6922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860  -10.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054  -10.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2139  -10.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714   -8.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179   -9.4515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4452   -7.4827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700   -7.9696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0511   -7.3462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3432   -7.2395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
 11 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$
993
  Mrv2314 01052423262D          

 36 36  0  0  0  0            999 V2000
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -5.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -4.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -3.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -5.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   -5.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  8 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$
994
  Mrv2314 01052423262D          

 31 32  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
 11 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  CHG  2  18   1  20  -1
M  END
$$$$
995
  Mrv2314 01052423262D          

 51 52  0  0  0  0            999 V2000
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011   -3.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -3.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -4.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045   -5.6393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -3.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -0.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   -0.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940    0.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0262    0.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209    0.4011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848   -2.1443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349   -3.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1590   -3.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 16 23  1  0  0  0  0
  9 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$
996
  Mrv2314 01052423262D          

 48 51  0  0  0  0            999 V2000
   -1.4087   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -3.5558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587   -4.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -4.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587   -5.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837   -5.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962   -4.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837   -4.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -6.4137    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715   -3.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715   -2.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -4.3794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1319   -4.0092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7959   -2.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7959   -3.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6942   -1.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -1.6735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4567   -0.5888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980   -0.9591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357   -2.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1056   -1.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2192    0.1257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8605   -0.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -4.9848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962   -6.4137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1212   -4.9848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962   -3.5558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 10 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 22 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 21 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
$$$$
997
  Mrv2314 01052423262D          

 57 61  0  0  0  0            999 V2000
   -2.3635    6.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    5.6479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7924    6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7924    6.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    7.2979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    8.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    9.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6490    9.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6490   10.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   11.0104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   11.0104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780   10.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    9.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7924    9.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069    9.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069   10.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7924   11.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2214   11.0104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   11.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780   12.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780   13.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7924   11.8354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    4.4104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7924    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7924    4.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770    4.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0620    3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770    3.3305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399    6.9334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101    7.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101    5.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399    6.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160    6.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    5.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    7.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160    6.9334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5313    8.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9016    8.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101    7.8462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399    8.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    9.3604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3984    8.8006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2214    9.3604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780   11.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399   11.8834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101   12.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   12.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160   11.8834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6490    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2874    5.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8870    3.9979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
  9 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 29 33  4  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
 10 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 19 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
$$$$
998
  Mrv2314 01052423262D          

 29 28  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7136    1.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024    1.6131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4946    0.6658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4708    0.6414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7865    1.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    4.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    5.4434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    4.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$
999
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
    0.6078    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9097    1.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.1848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.6697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -0.5973    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1953    0.9422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   -0.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203   -0.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597   -0.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457    0.6411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238   -0.8719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277    1.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    1.8569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0709   -1.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -2.1218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.8777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -1.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    0.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$
1000
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
    0.6078    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9097    1.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.1848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.6697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -0.5973    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953    0.9422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   -0.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203   -0.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597   -0.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457    0.6411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238   -0.8719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277    1.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    1.8569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    1.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0709   -1.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -2.1218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.8777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -1.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    0.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    2.6351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  8 32  1  0  0  0  0
 10 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$
1001
  Mrv2314 01052423262D          

 32 31  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740   -2.9403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4709   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9657    0.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666    0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878   -0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4633    0.1236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    1.1084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7050    1.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980   -0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6393   -0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
M  END
$$$$
1002
  Mrv2314 01052423262D          

 55 58  0  0  1  0            999 V2000
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3387    0.7029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6826    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7875    0.9666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5484    1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    1.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    1.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7927   -0.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.5258    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872    2.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    2.3697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    2.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772    2.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    2.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767    2.2915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    0.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -1.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -0.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6188    0.7382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857   -0.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6865    0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6225    0.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    2.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7503   -0.9301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -1.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496    2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6617    2.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    1.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9427    2.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  6  0  0  0
  9 16  1  6  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 24  1  0  0  0  0
 25 19  1  0  0  0  0
  5 25  1  0  0  0  0
 25 26  1  1  0  0  0
  5 27  1  6  0  0  0
  4 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  6  0  0  0
  6 35  1  1  0  0  0
  7 36  1  6  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  1  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 20 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
$$$$
1003
  Mrv2314 01052423262D          

 30 32  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -2.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
  7 16  4  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 10 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
$$$$
1004
  Mrv2314 01052423262D          

 42 43  0  0  0  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -5.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.0125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104   -5.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7402   -5.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632   -6.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8335   -7.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 13 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$
1005
  Mrv2314 01052423262D          

 35 38  0  0  0  0            999 V2000
    1.6288    0.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    0.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    1.1821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210    2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    1.6996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082    2.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    0.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3659    0.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629    1.4587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4230    3.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797    3.5216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014    3.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806    3.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    4.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4503    4.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712    5.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467    4.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7324    4.8137    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8683    0.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090   -0.5271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -0.0864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1006    2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853    0.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    0.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7194    3.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2952    3.8637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701    2.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3842    3.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747    5.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5164    5.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  5 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  9 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$
1006
  Mrv2314 01052423262D          

 36 37  0  0  0  0            999 V2000
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    1.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -2.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -4.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
 13 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$
1007
  Mrv2314 01052423262D          

 44 43  0  0  0  0            999 V2000
   -3.9039    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    1.0573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    1.4275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3557   -0.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144   -0.9341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1522    0.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -1.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5856   -2.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1478   -1.0861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -0.7159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1818   -2.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8231   -3.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547   -0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
M  END
$$$$
1008
  Mrv2314 01052423262D          

 44 43  0  0  0  0            999 V2000
   -3.9039    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    1.0573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    1.4275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3557   -0.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144   -0.9341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1522    0.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -1.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5856   -2.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1478   -1.0861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -0.7159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1818   -2.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8231   -3.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547   -0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
M  END
$$$$
1009
  Mrv2314 01052423262D          

 20 19  0  0  0  0            999 V2000
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    2.7770    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.9520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    1.9520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536    1.0302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8091    0.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022   -0.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649   -0.7399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  5 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$
1010
  Mrv2314 01052423262D          

  6  5  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
$$$$
1011
  Mrv2314 01052423262D          

 18 18  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
  1 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
$$$$
1012
  Mrv2314 01052423262D          

 24 25  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 11 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  5 20  1  0  0  0  0
  8 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
$$$$
1013
  Mrv2314 01052423262D          

 50 49  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    8.1908    2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9052    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4176    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6771    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1321    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5598    1.3392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9052    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3131    1.8069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3473    2.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6332    3.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2116    1.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9128   -0.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7097    0.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4283    4.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    3.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9096    3.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    4.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9856    2.5082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
M  END
$$$$
1014
  Mrv2314 01052423262D          

 70 69  0  0  0  0            999 V2000
    9.7086    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    5.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    5.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    7.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954    6.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7099    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4243    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1388    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2822    6.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    5.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    7.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    8.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2961    7.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9941    6.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211    5.7158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7933    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0528    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5078    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2222    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4817    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9345    5.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4232    4.7928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4419    4.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1051    5.1568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5118    5.9848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0801    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3396    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0541    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7946    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4830    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2235    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9380    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1975    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3669    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6264    7.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3409    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0814    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    7.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7113    8.4802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2226    8.1980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7999    7.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3933    8.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7300    8.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1988    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9393    5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7722    7.5074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1412    5.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6300    5.8999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4937    6.5776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1557    7.5385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1419    7.4387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
M  END
$$$$
1015
  Mrv2314 01052423262D          

 34 33  0  0  0  0            999 V2000
    4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3461    4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    3.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1711    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2722    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5317    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2462    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9867    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6751    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1301    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3896    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5591    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8185    4.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5330    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2735    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5072    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    1.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1572    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$
1016
  Mrv2314 01052423262D          

 30 29  0  0  0  0            999 V2000
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3203    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4637    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7232    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1781    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8666    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6071    2.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7927    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$
1017
  Mrv2314 01052423262D          

 48 49  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    1.9520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.5230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
$$$$
1018
  Mrv2314 01052423262D          

 42 43  0  0  0  0            999 V2000
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -5.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829   -6.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -6.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112   -5.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6815   -5.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  4 33  1  0  0  0  0
  9 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 29 40  1  0  0  0  0
 29 41  1  0  0  0  0
 29 42  1  0  0  0  0
M  CHG  1  12  -1
M  END
$$$$
1019
  Mrv2314 01052423262D          

 38 39  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552   -2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6052   -2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543   -5.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -6.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -6.2195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194   -5.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -4.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -4.5531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6065   -5.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221   -7.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348   -5.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
 10 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
$$$$
1020
  Mrv2314 01052423262D          

 39 39  0  0  0  0            999 V2000
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -7.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -7.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -1.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -1.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762   -2.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066   -1.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -1.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
 10 38  1  0  0  0  0
 12 39  1  0  0  0  0
M  CHG  4  14   1  16  -1  21   1  23  -1
M  END
$$$$
1021
  Mrv2314 01052423262D          

 52 53  0  0  0  0            999 V2000
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    0.5230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    1.9520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -6.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -5.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 21 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 15 43  1  0  0  0  0
 18 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 32 47  1  0  0  0  0
 32 48  1  0  0  0  0
 32 49  1  0  0  0  0
 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
M  END
$$$$
1022
  Mrv2314 01052423262D          

 48 50  0  0  0  0            999 V2000
   -0.3269   -2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3269   -1.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7559   -1.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942   -2.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -2.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223   -3.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3270   -3.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1154   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2990   -2.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1148   -2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5273   -2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2259   -1.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8306   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6470    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587    0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3876   -1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020   -1.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165   -1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020   -2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4068   -3.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594   -2.8447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4005   -1.9977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -1.9744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711   -0.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -0.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -3.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017   -4.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1435   -4.7975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7202   -4.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8292   -3.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2377   -3.6385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2952   -1.8069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2417   -2.5208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6190   -1.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2518    0.5863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6751    1.0726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993    0.4521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7578   -0.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173   -0.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290   -1.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.7369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4040   -0.4349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1199   -3.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8224   -2.7890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135   -1.9692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  4 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$
1023
  Mrv2314 01052423262D          

 34 35  0  0  0  0            999 V2000
   -3.1599    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    5.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    6.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    5.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0751    6.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156    6.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    4.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828    6.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422    6.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446    3.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0775    2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053    2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    1.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340    3.8967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4452    3.6145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  6 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$
1024
  Mrv2314 01052423262D          

 38 40  0  0  0  0            999 V2000
   -0.6336   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809   -4.4270    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -5.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -4.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809   -6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -3.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -8.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -7.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6478   -2.1772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -2.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -5.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -5.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
$$$$
1025
  Mrv2314 01052423262D          

 35 37  0  0  0  0            999 V2000
   -0.9355   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -2.8875    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411   -1.3343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411   -4.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146   -5.6506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.4586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -4.3164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160   -3.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$
1026
  Mrv2314 01052423262D          

 34 36  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 Sn  0  0  0  0  0  3  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$
1027
  Mrv2314 01052423262D          

 35 34  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.6664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.9039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105   -1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7518   -1.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -1.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105   -1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -1.4415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609   -1.7236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -4.1807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -3.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$
1028
  Mrv2314 01052423262D          

 35 34  0  0  0  0            999 V2000
   -1.8414   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    0.6039    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -2.2539    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1522    0.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7968    1.3792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611    1.3792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -1.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5856   -2.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889   -3.0292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1532   -3.0292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597    1.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1715    0.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6827    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$
1029
  Mrv2314 01052423262D          

 36 39  0  0  0  0            999 V2000
   -0.4125   -1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.1263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.1263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -4.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.3487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -0.7226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8658   -0.7226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834   -1.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -3.2761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.2761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -2.4908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -1.8495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755   -3.1503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3551   -4.8155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8085   -4.0303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    0.6255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -0.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714   -0.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7237    1.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8170    1.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$
1030
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
   -0.7145    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.9039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.1914    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381    2.6185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    1.9772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    3.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    4.1807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893   -0.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265   -0.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    1.3412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    1.3412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    0.3442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    1.0847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730   -0.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143   -0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$
1031
  Mrv2314 01052423262D          

 42 44  0  0  0  0            999 V2000
   -1.1598   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136   -4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985   -5.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -5.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6546   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630   -6.2508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0839   -1.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6295   -1.3283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4508   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7785   -0.6487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1597   -0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4495   -0.5231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8336   -1.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3752   -0.4308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0740    0.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721   -1.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6328   -1.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0804   -3.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462   -2.9303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -3.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4756   -4.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691   -5.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039   -6.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -4.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6700   -2.5277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682   -2.7639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -2.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2373    0.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0127   -1.2582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7609   -0.5688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456   -0.0308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560    0.1329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
  5 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 14 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
$$$$
1032
  Mrv2314 01052423262D          

 58 61  0  0  0  0            999 V2000
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -1.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806   -1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051   -1.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423   -2.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6668   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1040   -3.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7166   -4.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8921   -4.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -3.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1538   -4.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7665   -5.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1282   -6.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9406   -6.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5347   -6.7499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8063   -6.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0648   -6.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9495   -5.5502    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    0.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -0.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865   -1.3689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862   -0.7201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945   -0.6731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076   -2.4143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614   -2.7619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0541   -1.8508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9285   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5048   -4.7645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6305   -3.3652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9035   -5.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8777   -4.3111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2933   -4.7595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6495   -7.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 20 26  1  0  0  0  0
  5 27  4  0  0  0  0
 27 28  4  0  0  0  0
  2 28  4  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
  3 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 23 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
$$$$
1033
  Mrv2314 01052423262D          

 78 81  0  0  1  0            999 V2000
    6.4765   -0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682   -1.1162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7878   -1.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156   -0.2645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9352   -0.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4269   -0.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -1.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2464   -0.7376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7382   -1.4001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4104   -2.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9021   -2.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5908   -2.2518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630   -3.0088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4434   -3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9517   -2.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156   -3.8605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2960   -3.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8043   -3.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848   -3.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4930   -2.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735   -2.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1817   -2.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096   -1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3291   -1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8209   -1.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6404   -1.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547   -3.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4269   -4.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9186   -5.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5908   -5.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7712   -5.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2795   -5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6073   -4.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434   -6.6996    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5577   -1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5743    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630    0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683    1.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9254    1.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1389    0.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    0.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8141   -0.9455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1487   -1.2108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9299   -1.8342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245   -1.3928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6239    0.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547   -0.0752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2299   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7712   -2.3464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9352   -3.7659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7878   -4.6176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5054   -4.1907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -4.6438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4370   -2.7633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7575   -2.4691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1634   -3.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6252   -4.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0137   -3.3149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622   -2.2518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0256   -0.5383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5296   -3.9545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446   -3.2189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7382   -4.9962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0825   -6.5103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6171   -5.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -5.1854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -1.8180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2202   -0.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -0.5383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3627    0.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8070    0.8109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    0.6505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4469    0.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1215    2.2305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3935    1.6901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5488    1.6194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7999    1.8944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
  2 26  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 31 34  1  0  0  0  0
  9 35  1  0  0  0  0
  8 36  1  0  0  0  0
  5 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2 43  1  1  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5 47  1  6  0  0  0
  9 48  1  1  0  0  0
 12 49  1  0  0  0  0
 13 50  1  1  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
 32 66  1  0  0  0  0
 33 67  1  0  0  0  0
 35 68  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 37 74  1  0  0  0  0
 38 75  1  0  0  0  0
 38 76  1  0  0  0  0
 39 77  1  0  0  0  0
 39 78  1  0  0  0  0
M  END
$$$$
1034
  Mrv2314 01052423262D          

 26 25  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    2.5787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2504    2.3717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7617    2.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482    1.0413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8719    1.8152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2986    2.6273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076   -0.6133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$
1035
  Mrv2314 01052423262D          

 34 33  0  0  0  0            999 V2000
   -0.4125    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.8579    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    5.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    5.7158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    4.5888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893    3.8335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480    3.4632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    4.7402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    5.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878    3.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    1.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    2.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9893    3.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    3.6815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0232    1.6901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    1.3198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
M  END
$$$$
1036
  Mrv2314 01052423262D          

 27 28  0  0  0  0            999 V2000
    0.1624   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507   -1.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -2.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -4.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735   -0.7959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6116    0.7264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397    0.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
 10 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
$$$$
1037
  Mrv2314 01052423262D          

 52 56  0  0  1  0            999 V2000
    3.3022    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548    4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3838    3.4879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2075    3.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6601    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655    2.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    2.7510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1892    2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8182    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    1.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945    1.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9014    2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5259    2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2466    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    3.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7365    3.3936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075    4.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312    4.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6548    4.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0258    5.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8312    4.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3785    5.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451    5.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855    5.1732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550    5.7381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    5.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578    4.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2481    4.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0283    3.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365    2.7981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2307    2.2495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4807    2.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0800    1.3104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6570    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602    3.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086    0.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700    0.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    0.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085    0.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1290    1.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2591    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807    3.6901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2858    4.4463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    4.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    5.9548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794    6.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4923    6.2393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2688    5.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3980    4.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  4  0  0  0  0
  9 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
  3 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  8 38  1  1  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 21 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END
$$$$
1038
  Mrv2314 01052423262D          

  6  5  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
$$$$
1039
  Mrv2314 01052423262D          

 17 17  0  0  0  0            999 V2000
    2.2857   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7706   -1.4039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6212    0.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296   -1.5764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -0.5169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404   -0.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728    1.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121    0.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
$$$$
1040
  Mrv2314 01052423262D          

 55 57  0  0  1  0            999 V2000
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320   -7.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433   -7.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4988   -5.9318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4736   -6.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -4.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6251   -6.0323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -8.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  1  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END
$$$$
1041
  Mrv2314 01052423262D          

 39 41  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    1.5143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0349    1.3848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  2  0  0  0  0
 13 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$
1042
  Mrv2314 01052423262D          

 38 40  0  0  0  0            999 V2000
    1.1355    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2700   -1.8242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480    5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230    4.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6736    4.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033    5.2268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812    4.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    3.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134    2.8946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 10 18  4  0  0  0  0
 14 18  4  0  0  0  0
 15 19  1  0  0  0  0
 19 20  3  0  0  0  0
  3 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 16 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
$$$$
1043
  Mrv2314 01052423262D          

 60 64  0  0  1  0            999 V2000
    4.9279   -0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -1.7771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4990   -1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.5396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -2.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -3.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -4.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -5.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -5.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -5.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -4.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7515   -0.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3813    0.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -2.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -2.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   -1.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   -1.6467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5837    0.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432    0.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790    0.3005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0532   -0.5089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    0.7459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379    1.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9507   -0.0209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.9103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -3.4271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -3.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -5.4896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -6.3146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -5.4896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3885   -4.2521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569   -2.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7694   -0.6501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858   -1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858   -3.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -3.4271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 19 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3 36  1  6  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
 10 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 19 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
M  END
$$$$
1044
  Mrv2314 01052423262D          

 28 29  0  0  0  0            999 V2000
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308    0.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962    0.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2982   -0.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413    0.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891    0.7807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046   -0.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6181   -0.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -2.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  4 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$
1045
  Mrv2314 01052423262D          

 44 46  0  0  0  0            999 V2000
   -2.6462   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358    1.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428    1.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    2.1518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329    2.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4712   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    0.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    0.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4793   -0.5874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6543    0.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2396    1.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0857    0.5452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454    3.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331    2.4949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2024    1.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460    2.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849    3.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198    3.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  4  0  0  0  0
  8 16  4  0  0  0  0
 12 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
 11 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
$$$$
1046
  Mrv2314 01052423262D          

 36 36  0  0  0  0            999 V2000
    1.2375    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6958    3.3285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    4.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    4.7957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5527    2.5212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1226    2.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324    4.6452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
 13 32  1  0  0  0  0
 17 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$
