/home/frits/JRY_2b/Syn036105/Syn036105.car
 OpenBabel02252016533D

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.4210   -0.1059   -0.0673 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2163   -0.4680   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369   -1.4489   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6598    0.5083   -0.3270 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039    1.5722    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5696    2.4725    0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3455    1.1782    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2461    1.6539    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142   -0.9632   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118   -1.9607   -0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760   -0.6701    0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0622    0.2997    0.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5522   -1.4223    0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0781    0.4321   -0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1702   -0.1918   -1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    1.4405   -0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8808   -0.1052    0.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9216    0.4778    1.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5631   -1.2636    0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5618   -1.8801   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1359   -1.6052    1.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  1  1  0  0  0  0
  9 11  2  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
 19 21  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-9.454

$$$$
/home/frits/JRY_2c/Syn007049/Syn007049.car
 OpenBabel02252016533D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.0969   -0.0960   -0.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0428   -0.7095   -0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416   -1.7729   -0.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0633    0.1249   -0.2917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5685    1.3563   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764    2.1732    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239    1.2158    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    1.8864    0.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3147   -0.7642    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -1.8347   -0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.2104    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087   -0.8331    0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561    0.8483    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4631   -0.2261   -0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9335    0.6160   -1.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834   -1.0898   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -0.5393    0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2456   -0.7976    0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892    0.3215    1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7370   -1.3797    1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14  4  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-9.272

$$$$
/home/frits/JRY_2c/Syn011774/Syn011774.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -1.8392   -0.1612    0.0713 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6418   -0.2294    0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2973   -1.0414    1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025    0.8132    0.3043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6453    1.6124   -0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1845    2.5246   -0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8976    0.9860   -0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    1.2174   -1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8047   -1.1444    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077   -1.9813    0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0502   -1.1490   -0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   -0.3539   -0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7210   -1.9736   -0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767    1.0399    0.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579    0.6781    1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540    2.1206    0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526    0.3657   -0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5052    0.7184   -1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2639   -0.6364    0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -0.9876    1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2435   -1.3082   -0.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2203   -0.8918   -1.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562   -1.1904   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0209   -2.3767   -0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  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 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 17 19  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-9.040

$$$$
/home/frits/JRY_2b/Syn035188/Syn035188.car
 OpenBabel02252016533D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.4731   -0.3469    0.4509 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392   -1.2006   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0161   -2.2321   -0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -0.8151   -0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -1.5344   -1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856    0.5301   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9487    0.8661   -0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    1.4352    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3813    2.4781    0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8726    0.9496    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1779    1.6284    1.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -0.7893    0.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664   -1.8570    1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268   -0.2610    1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9073   -0.5503   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8344   -1.0858   -0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.2802    0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    0.8132    1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287    0.5173   -0.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0674    1.5775   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8676   -0.0584   -1.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9976    0.2308   -0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 17  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-9.038

$$$$
/home/frits/JRY_2c/Syn017006/Syn017006.car
 OpenBabel02252016533D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.4013   -0.0881    0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438   -0.6708    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153   -1.7330    0.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515    0.1932    0.2894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2184    1.4150    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    2.2562    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    1.2345   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092    1.8841   -0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -0.7917   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5194   -1.8633    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8217   -0.2704   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9877    0.7869   -0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893   -0.9192   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -0.1275    0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452   -0.1270    1.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156   -1.1196   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471   -1.4999   -1.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6049   -1.7304    0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1654    0.3378   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1578    0.5704   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8071    0.8288   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  0  0  0  0
 19 14  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-9.032

$$$$
/home/frits/JRY_2b/Syn041244/Syn041244.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -2.1620   -0.4866    0.0271 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769   -0.4549   -0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5742   -1.2620   -1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3335    0.6697   -0.3051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392    1.4260    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668    2.3962    0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3151    0.6818    0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2434    0.8297    1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396   -1.5675   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0606   -1.1775   -0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7434   -2.3852   -0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3215   -1.9153    0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998    1.0094   -0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0673    2.1003   -0.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923    0.6062   -1.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0596    0.4815    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.8920    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543   -0.4579   -0.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9188   -0.8659   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177   -0.9834    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -2.0633    0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9801   -0.5178    1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035   -0.7899    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 13  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-9.013

$$$$
/home/frits/JRY_2a/Syn043155/Syn043155.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.5941   -0.0171    0.1358 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457   -0.0317    0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168    0.5852    1.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062   -0.8884    0.2534 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2166   -1.4728   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433   -2.2131   -1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057   -0.9114   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3619   -1.0405   -1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509    0.8081    0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4693    1.4464    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549    0.8830   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070    1.5672    0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1168    0.2819   -0.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7677   -1.1535    0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085   -0.9136    1.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9405   -2.2301    0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8251   -0.3666   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8225   -0.6921    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355   -0.5854   -1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090    1.1043    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9009    1.4670    1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3953    1.9943   -0.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2012    1.6845   -1.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3324    3.0509   -0.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4 14  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.955

$$$$
/home/frits/JRY_2a/Syn013015/Syn013015.car
 OpenBabel02252016533D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.2387    0.4570   -0.3216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580   -0.5901   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2440   -1.5605   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7764   -0.3234    0.0269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908    0.9731    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    1.3682    0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    1.4756    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0048    2.4258    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6464    0.4859   -0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    1.5099   -1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607   -0.1564   -1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5268    0.0518    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    0.6671    1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -1.0511    0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230   -1.3177    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -1.6959   -0.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9104   -1.2383    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6033   -2.2210   -0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7134   -0.8334   -0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334   -1.3157    1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  5  2  0  0  0  0
  9  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.849

$$$$
/home/frits/JRY_2a/Syn020086/Syn020086.car
 OpenBabel02252016533D

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.7267   -0.6342    0.2935 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050    0.0347    0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303    0.7851    1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4372   -0.3077    0.1875 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1409   -1.2632   -0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614   -1.6676   -1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489   -1.4749   -0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644   -2.1141   -1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195   -0.4995    0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258   -0.0151    1.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5090   -1.5147    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9932    0.2750   -0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0349    0.2278    0.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5853    1.7435   -0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5779    1.8432   -0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107    2.2442    0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7580    0.2468    0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4934   -0.5531    0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723    0.5387    1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0883    1.4418   -0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564    2.2439   -0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794    1.8363   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    1.1549   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9479   -0.1967   -1.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2733    2.2682   -1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4 17  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12  9  1  0  0  0  0
 14 12  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 12  1  0  0  0  0
 25 14  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.688

$$$$
/home/frits/JRY_2b/Syn039282/Syn039282.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.4192   -0.0495    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2711   -0.3885    0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1161   -1.2773    1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    0.4832    0.3859 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274    1.4541   -0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    2.2643   -0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    1.1106   -0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0654    1.5502   -1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -0.8135    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4669   -1.7170    0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7833   -0.5361   -0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735    0.3432   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154   -1.2083   -0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0697    0.4177    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3265    1.4154    1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1135   -0.2711    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565   -0.0050   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9751    0.6670   -1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8388   -1.4448   -0.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6018   -1.7220   -1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612   -1.5664   -1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0761    0.0882    0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049   -2.1443    0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  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 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.670

$$$$
/home/frits/JRY_2a/Syn016722/Syn016722.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.6939    0.6547    0.2441 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2521   -0.1709    0.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0656   -1.0573    1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    0.2007    0.2369 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    1.3393   -0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770    1.7922   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898    1.6306   -0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7228    2.4051   -0.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204    0.5178    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5636    1.5193    0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196    0.1152    1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7913   -0.3505   -0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8244   -0.0025   -1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3665   -1.5291   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468   -2.1176   -0.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3686   -1.9188    0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064   -0.4945    0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6083   -0.9989    1.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    0.2629    0.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549   -1.4988   -0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2731   -2.2577   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977   -2.0031   -0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1574   -0.9996   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4 17  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 12 14  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 20 22  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.667

$$$$
/home/frits/JRY_2b/Syn019866/Syn019866.car
 OpenBabel02252016533D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.6937   -0.1105   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4043   -0.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4238   -1.9211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4893   -0.0915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0872    1.1981   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8595    1.9555   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3212    1.1885   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    1.9434   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9663   -0.6695   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -1.7550   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0733   -0.5404   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1915    1.0859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8747   -0.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3634   -0.1614    0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3634   -0.1614   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8957   -1.6418    0.0000 H   0  0  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 14  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9 11  2  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.593

$$$$
/home/frits/JRY_2c/Syn113217/Syn113217.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.5729    1.8327   -0.4377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809    2.5514   -1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4901    1.9854   -0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8584    0.6471   -0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.4285   -0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353    1.1764   -1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550   -0.6956   -0.5232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922   -1.6434    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1998   -2.5375    0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6531   -1.5211    0.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0397   -2.3077    1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3997   -0.3524    0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3754   -0.2340    1.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786   -0.8884   -1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5534   -1.9408   -1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5245   -0.2933   -2.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275   -0.5224   -0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798   -0.8008   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -1.0973    0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556    0.9435    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8569    1.6214   -0.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4587    1.4585    1.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605    0.8255    2.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969    2.5299    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  3  1  0  0  0  0
  2  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14  7  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 20 22  2  0  0  0  0
 21 20  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.574

$$$$
/home/frits/JRY_2c/Syn099930/Syn099930.car
 OpenBabel02252016533D

 24 25  0  0  1  0  0  0  0  0999 V2000
    2.3500    0.4198   -0.0033 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    0.4715    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730    1.3552    0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4798   -0.6732    0.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3419   -1.5322   -0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833   -2.5331   -0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448   -0.8288   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5166   -1.0523   -0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360    1.4943   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033    1.1677    0.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966    2.3908    0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6209    1.6949   -1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999   -0.9379    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9781   -2.0044    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812   -0.3726    1.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766   -0.5596   -0.4101 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6741   -0.8439   -1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3850   -0.6208   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0337   -0.9254   -0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5860   -0.9456    0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6751    0.6108   -0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7230    1.9515   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    2.4647    0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423    2.5436   -0.3819 H   0  0  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 13  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  6  0  0  0
 16 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 13  1  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 21 22  2  0  0  0  0
 21 18  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.463

$$$$
/home/frits/JRY_2b/Syn116470/Syn116470.car
 OpenBabel02252016533D

 25 25  0  0  0  0  0  0  0  0999 V2000
   -2.2068   -0.2648    0.0693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -0.1712    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5778   -0.9210    1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050    0.9503    0.2952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2399    1.6334   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8942    2.5892   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4022    0.8516   -0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3352    0.9557   -1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0429   -1.3579    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490   -2.1383    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2730   -1.5292   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8369   -2.4273   -0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7388   -0.8002   -0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9257    1.3577    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640    2.4522    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0436    1.0273    1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    0.7976   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    1.1309   -1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212   -0.0786    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197   -0.4097    1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430   -0.6086   -0.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559   -0.2841   -1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745   -1.4829   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029   -1.8360    0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253   -1.8556   -0.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  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 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  1  0  0  0  0
 17 19  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.379

$$$$
/home/frits/JRY_2b/Syn046391/Syn046391.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.0952   -0.7057   -0.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1027   -0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7907   -1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952   -0.7057   -0.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7039   -1.7698    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822   -2.3871    0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039   -1.7698    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4822   -2.3871    0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632   -0.2821   -0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046   -1.1693   -0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4803    0.1091   -1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    0.7295    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0366    0.4193    1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541    1.9947    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1785    2.3534   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5988    2.6876    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4632   -0.2821   -0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1046   -1.1693   -0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4803    0.1091   -1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9355    0.7295    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366    0.4193    1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2541    1.9947    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785    2.3534   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5988    2.6876    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9  1  1  0  0  0  0
  9 12  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 14 16  1  0  0  0  0
 15 14  1  0  0  0  0
 17 18  1  0  0  0  0
 17  4  1  0  0  0  0
 17 20  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  1  0  0  0  0
 22 20  2  0  0  0  0
 22 24  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.343

$$$$
/home/frits/JRY_2b/Syn038292/Syn038292.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.9211    0.3111   -0.0729 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986    0.1551   -0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.7549   -1.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0494   -0.8104   -0.2504 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.3250    0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446   -2.1391    1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9194   -0.6025    0.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768   -0.6181    1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9405    1.3050   -0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890    2.2995   -0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994    1.1206   -1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7665    1.2110    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2555   -1.2382   -0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3014   -0.9860   -1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920   -2.3298   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230   -0.6066    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3636   -1.0472   -0.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3341   -0.8353    1.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854    0.8722   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6953    1.2298   -1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    1.7736    0.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059    1.4688    1.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3741    2.8345    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9  1  1  0  0  0  0
  9 12  1  0  0  0  0
 11  9  1  0  0  0  0
 13 15  1  0  0  0  0
 13  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  1  0  0  0  0
 19 16  1  0  0  0  0
 19 21  2  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.329

$$$$
/home/frits/JRY_2a/Syn024921/Syn024921.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.0408   -0.2986    0.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8548   -0.6746   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5653   -1.7078   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572    0.3485   -0.5374 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577    1.4662   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536    2.4133   -0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325    1.0495    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380    1.5360    0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1649   -1.1569    0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184   -0.9745    1.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087   -0.9058   -0.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793   -2.2044    0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180    0.2571   -1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3089   -0.4333   -1.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    1.2400   -1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.1948    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8781   -1.3998   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -2.0809   -0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5741   -1.7251    0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426    0.7502    1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949    0.3508    1.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160    1.7051    0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6334    0.9380    1.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 20  1  0  0  0  0
 17 16  2  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 20 23  1  0  0  0  0
 20 21  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.314

$$$$
/home/frits/JRY_2a/Syn050160/Syn050160.car
 OpenBabel02252016533D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.8034   -0.1032   -0.0750 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5947   -0.4016   -0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -1.3527   -0.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487    0.5981   -0.3411 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4420    1.6111    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1025    2.5219    0.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    1.1610    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749    1.5853    0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663   -0.9965   -0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6363   -1.9660   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1298   -0.7685    0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    0.1700    0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8803   -1.5436    0.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629    0.5946   -0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410    1.6224   -0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621   -0.0120   -1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.0762    0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758    0.4662    1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -1.3645    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -1.9409   -0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1143   -1.8749    1.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9536   -0.2689    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6939   -0.1245    0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2531   -0.1734   -0.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  1  1  0  0  0  0
  9 11  2  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
 19 21  1  0  0  0  0
 20 19  1  0  0  0  0
 22 19  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.241

$$$$
/home/frits/JRY_2c/Syn049012/Syn049012.car
 OpenBabel02252016533D

 24 24  0  0  1  0  0  0  0  0999 V2000
   -3.9034   -0.7019    0.5327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2449   -1.6201    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5229   -0.0850    1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969   -0.2926    0.1975 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1295    0.9852    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518    1.6801    1.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168    1.3414    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    2.3158    0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    0.5300   -0.4762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479   -0.6963   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2312   -1.3404   -1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417   -1.1567   -0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0587   -2.1468   -0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885    0.9443   -0.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    0.5562   -1.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113    2.0375   -0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778    0.4684    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2803    0.8548    1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747   -0.3966   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4808   -0.7812   -1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662   -0.8693    0.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3775   -0.5969    0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851   -0.4327    1.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156   -1.9575    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10 12  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
 19 21  1  0  0  0  0
 20 19  1  0  0  0  0
 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.216

$$$$
/home/frits/JRY_2a/Syn051000/Syn051000.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.9498   -0.4160    0.4333 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8681   -1.1355   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6361   -2.1814   -0.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700   -0.5977   -0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7693   -1.2137   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3389    0.7621   -0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2547    1.2136   -0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073    1.5306    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5874    2.5812    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349    0.8981    0.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4989    1.4700    1.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2913   -1.0153    0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5026   -0.5816    1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1221   -2.0873    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181   -0.8004   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267   -1.2516   -1.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5249   -0.0910    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    0.3574    1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    0.1058   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5197   -0.3378   -1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093    0.8131   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4986    0.9356   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419    1.2751    0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 15 17  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 23  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.183

$$$$
/home/frits/JRY_2b/Syn121765/Syn121765.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.5039    0.6456    0.0286 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387    0.4565   -0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8469    1.1957   -1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8360   -0.7341   -0.2964 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7196   -1.3695    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4663   -2.3723    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7920   -0.4817    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -0.5032    1.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413    1.8378   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3084    1.5559   -0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8543    2.5883   -0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4672    2.2251    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391   -1.2467   -0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3681   -2.3385   -0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5709   -0.8752   -1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -0.8417    0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5647   -1.2318    1.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730   -0.0366   -0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840    0.3505   -1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579    0.3434    0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592   -0.0383    1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6616    1.1467    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    1.5524   -0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4582    1.4065    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 13  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 22 20  2  0  0  0  0
 22 24  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-8.087

$$$$
/home/frits/JRY_2c/Syn100317/Syn100317.car
 OpenBabel02252016533D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.7780   -0.1751    0.0347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6075   -0.7156   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4577   -1.7753   -0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593    0.1783   -0.2767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072    1.3824   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429    2.2466   -0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803    1.1534    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466    1.7633    0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0589   -0.8601    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7261   -0.4916   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4695   -0.6390    1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9054   -1.9385    0.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608   -0.1000   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214   -0.0993   -1.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834   -1.0622    0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.6512   -0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9538   -1.4530    1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    0.4063    0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    0.8935    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618    0.6671   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 13  1  0  0  0  0
 15 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 15  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.923

$$$$
/home/frits/JRY_2c/Syn050786/Syn050786.car
 OpenBabel02252016533D

 21 21  0  0  1  0  0  0  0  0999 V2000
   -3.5527   -0.3316   -0.4041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1519    0.4525   -0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9600   -1.2622   -0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1844   -0.1326   -0.1301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3581   -1.2282    0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -2.2410    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.9715    0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585   -1.7950    0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644    0.2674    0.4208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2544    1.3045    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014    2.2890    0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6258    1.1642   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232    2.0335   -0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9885    0.4633    0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665   -0.2199    1.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284    1.4834    1.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8204    0.2453   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6682    0.9097   -1.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523   -0.7207   -0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3325   -0.8312   -1.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9490   -1.4071    0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 14  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19 21  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.913

$$$$
/home/frits/JRY_2c/Syn070026/Syn070026.car
 OpenBabel02252016533D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.2723    2.0801   -0.2441 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1342    2.9991   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    2.0223   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131    0.9123   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465   -0.3222   -0.3665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786   -1.4033   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492   -2.3851   -0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1303   -1.3249    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7326   -2.2210    0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800   -0.0556    0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202    0.0463    0.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8682    1.0819    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2892    2.0658    0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4273   -0.6343   -0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516    0.1347   -1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370   -1.5808   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3368   -0.7261    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1232   -1.4816    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4096    0.0675    0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6746    0.8329   -0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388   -0.0470    1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  2  0  0  0  0
  7  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
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14  5  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.864

$$$$
/home/frits/JRY_2b/Syn050068/Syn050068.car
 OpenBabel02252016533D

 24 24  0  0  1  0  0  0  0  0999 V2000
   -0.6721    2.0755   -0.2847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6731    2.0260   -0.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    2.9912   -0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093    0.9008   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4769   -0.3272   -0.4150 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -1.4145   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1061   -2.3927   -0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7190   -1.3503   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036   -2.2619    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.0841    0.1555 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4882    1.0596    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152    2.0464    0.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7689    0.0411    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1803    0.9755    0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425   -0.7798    0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090    0.0243    1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843   -0.6278   -0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9387   -1.5756   -1.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2476    0.1422   -1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7149   -0.7080    0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4591   -1.4631    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7670    0.0955    0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3383   -0.0108    1.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0721    0.8611    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  3  1  0  0  0  0
  2  1  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  1  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 17  5  1  0  0  0  0
 17 20  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 22  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.862

$$$$
/home/frits/JRY_2c/Syn004529/Syn004529.car
 OpenBabel02252016533D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.2668    0.4446   -0.3778 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6311   -0.4974   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437   -1.3892   -1.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805   -0.2336   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414    0.9518    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4999    1.3290    1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3262    1.3900    0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    2.2523    0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6372    0.4661   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969   -0.2391   -1.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070    1.4698   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6942    0.1421    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886    0.2977   -0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990   -1.2974    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -1.5013    1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6522   -1.4761    1.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882   -1.0508   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030   -1.9593   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2408   -1.3112    1.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7925   -0.4669   -0.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986    0.8281    1.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6822   -2.0112   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 12  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 17  4  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 20 17  1  0  0  0  0
 22 14  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.857

$$$$
/home/frits/JRY_2c/Syn031816/Syn031816.car
 OpenBabel02252016533D

 23 23  0  0  1  0  0  0  0  0999 V2000
   -0.9495   -0.2287    0.4545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318    1.0287    0.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289    1.8402    0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9271    1.3195    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2674    2.3500    0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8249    0.2527    0.0003 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2976   -1.0652   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9217   -1.9328   -0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -1.2454    0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -2.2483    0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2474    0.5613   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308    1.6082   -0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166   -0.3465   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0352   -1.4128   -0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2363   -0.0139   -0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3771   -0.4644    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7163    0.2486    1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -1.4686    1.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -0.3421   -0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454   -1.0427   -1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1209    0.5807   -0.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793    1.3000   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6628    0.6217   -1.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  2  2  0  0  0  0
  6 11  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  9  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.812

$$$$
/home/frits/JRY_2a/Syn144076/Syn144076.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -0.9638   -0.1869   -0.6092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857    1.0789   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658    1.8903   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5553    1.3733    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478    2.3998    0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3339    0.2986    0.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2423    0.4846    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213   -1.0198    0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5006   -1.8675    0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353   -1.2078   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938   -2.2153   -0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664   -0.4263   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    0.3384   -2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794   -1.3961   -1.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4633   -0.4168   -0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040   -1.1834    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663    0.4870   -0.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    1.2397   -1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6968    0.5672    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    1.5502    0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5796    0.5216   -0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8098   -0.4544    1.3011 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054   -0.2428    1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0214   -1.3581    0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  3  2  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
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 21 19  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.743

$$$$
/home/frits/JRY_2a/Syn172977/Syn172977.car
 OpenBabel02252016533D

 24 25  0  0  1  0  0  0  0  0999 V2000
    2.4430   -0.3540   -0.0113 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437   -0.4941   -0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219   -1.3755   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4784    0.5584   -0.3278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    1.4476    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    2.3839    0.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784    0.8599    0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    1.1461    1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405   -1.3136   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3892   -0.8470   -0.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039   -1.5726    0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210   -2.2092   -0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036    0.7271   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    1.7773   -1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    0.1191   -1.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9150    0.3456    0.3194 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7136    0.8498    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3494    0.4747   -0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980    0.8314   -1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9485    1.0540    0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5719   -1.0304    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3269   -1.4739    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -1.1701    0.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8827   -1.6972    1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 23  1  0  0  0  0
 16 17  1  1  0  0  0
 18 21  1  0  0  0  0
 18 16  1  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  RAD  2  21   2  23   2
M  END
>  <MD_stabilization_energy>
-7.731

$$$$
/home/frits/JRY_2b/Syn133783/Syn133783.car
 OpenBabel02252016533D

 23 23  0  0  1  0  0  0  0  0999 V2000
    1.9231    0.8314    0.2320 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1521    1.8114    0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460    0.4585    0.1446 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4162    1.4619   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1330    2.5003   -0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7703    1.0898   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5202    1.8469   -0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2180   -0.1826   -0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840   -1.1357    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -2.1506    0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -0.8773    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720   -1.6984    0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0071   -0.1101    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4594   -0.8341   -0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3012   -1.4964   -0.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -0.1189   -1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530   -1.4378   -1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6288   -0.5554   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7433   -1.2838   -0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9344   -0.9902    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2330    0.3324   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117   -0.8167    1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8434    0.4715    0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  1  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 23  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.698

$$$$
/home/frits/JRY_2b/Syn061466/Syn061466.car
 OpenBabel02252016533D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.1543   -0.3320    0.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9377   -0.5497   -0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085   -1.4944   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1642    0.5115   -0.3280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    1.4880    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4324    2.4427    0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1921    0.9450    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    1.2997    0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2656   -1.2756    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9423   -2.2324   -0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0883   -0.8615   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5689   -1.4088    1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363    0.5969   -0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4326    1.6330   -1.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3554   -0.0305   -1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706    0.1801    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133    0.5913    1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032   -0.0756    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3516    0.1464    0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8677    0.0060   -1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005   -1.2284    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204   -1.8532   -0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9135   -1.6950    1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 13  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 18 21  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 21 23  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.679

$$$$
/home/frits/JRY_2c/Syn061452/Syn061452.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.8501   -2.2590    0.4680 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133   -2.7793    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0212   -2.7395    0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751   -0.8999    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1712   -0.2127   -0.6221 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4644    1.1003   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403    1.6583   -1.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6039    1.7676   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779    2.8122   -0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100    1.0461    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4018    1.5262    0.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -0.3046    0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491   -0.8661    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0783   -0.7177   -1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290   -0.1089   -2.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8745   -1.7235   -1.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2497   -0.7499   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1029   -1.2520   -0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9802   -1.3372    0.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6742    0.6266    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0856    1.2734   -0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5846    1.0937    1.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    0.4863    2.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9139    2.0986    1.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4 12  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14  5  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 20 22  2  0  0  0  0
 21 20  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.657

$$$$
/home/frits/JRY_2b/Syn006547/Syn006547.car
 OpenBabel02252016533D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.8633    5.0131    4.4754 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7815    5.2424    4.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8619    4.5085    5.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7652    4.3282    4.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5526    3.8054    4.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937    3.6643    4.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    3.4560    6.0608 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    3.6338    6.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032    3.3392    7.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7880    4.1605    6.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6148    4.2804    7.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1501    4.7596    3.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5703    4.7780    2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    5.1631    3.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239    5.7240    2.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3170    5.9749    2.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4459    4.9929    1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787    6.6348    1.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245    2.8970    6.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    3.5617    7.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458    1.9012    7.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.8208    5.8376 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
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  1  1  0  0  0  0
 15 16  1  0  0  0  0
 15 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.651

$$$$
/home/frits/JRY_2a/Syn052482/Syn052482.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.5589   -0.0160    0.4401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265    1.1541    0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831    2.0692    0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5520    1.2279   -0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0392    2.1860   -0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2277    0.0239   -0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2505    0.0392   -0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5629   -1.2001   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -2.1435   -0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368   -1.1659    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -2.0970    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242   -0.0359    0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477   -0.9355    1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558    0.8274    1.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8389   -0.0068   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660    0.8880   -0.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825   -0.8749   -0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2094   -0.0005    0.3016 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807   -0.8410    0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1892    0.0722   -0.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1157   -0.7921   -1.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000    0.0891   -0.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631    0.9873   -1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10  1  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 18  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.650

$$$$
/home/frits/JRY_2c/Syn001629/Syn001629.car
 OpenBabel02252016533D

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.2835   -0.7237    0.2933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573    0.2416    0.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320    0.8302    1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336    0.4118    0.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752   -0.4933   -0.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8900   -0.4976   -1.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8876   -1.2261   -0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3898   -2.0412   -1.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784   -1.1744    0.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0206   -0.8090    1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -2.2681    0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173   -0.7257    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994   -1.2102    0.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -1.0688   -0.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    0.7990    0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4676    1.1528    1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5636    1.2997   -0.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6912    1.2060   -0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6575    0.8937   -1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720    0.7533   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8141    2.2923   -0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.3855    0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2569    2.0237   -0.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    1.9905    1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1389    0.8417    0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4 22  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 18 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 22 25  1  0  0  0  0
 22 24  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.619

$$$$
/home/frits/JRY_2c/Syn104370/Syn104370.car
 OpenBabel02252016533D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.4362    1.8962    0.0132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4203    1.8948    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953    2.7790   -0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6978    0.6964   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    0.6912   -0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743    1.6169   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -0.4373   -0.3840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792   -1.6071   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355   -2.5020   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5344   -1.7071    0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9717   -2.6657    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3078   -0.5318    0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3558   -0.5828    0.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8496   -0.3830   -0.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    0.3575   -1.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1343   -1.3550   -1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081   -0.0587    0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7223   -0.7607    1.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4694    1.0483    0.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0784    1.2322    1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969    1.7787   -0.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14  7  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.577

$$$$
/home/frits/JRY_2b/Syn009905/Syn009905.car
 OpenBabel02252016533D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.2251    4.9898    4.3151 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.7695    5.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2202    5.4783    6.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1745    3.5895    5.9946 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8805    2.9931    5.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2677    2.0031    5.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9131    3.8945    3.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3363    3.9013    2.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030    6.1817    3.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4617    5.8866    2.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9775    6.6106    3.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    6.9041    4.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8885    3.0140    7.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2982    3.7254    7.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8401    2.8108    7.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3236    2.0879    7.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  7  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.574

$$$$
/home/frits/JRY_2b/Syn022207/Syn022207.car
 OpenBabel02252016533D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.0953    0.2369    0.2549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.4007    0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.3445    1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    0.2369    0.2549 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    1.3635   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818    2.0179   -0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038    1.3635   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4818    2.0179   -0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4686   -0.2006    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0794    0.6946    0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4739   -0.7807    1.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0222   -1.0317   -0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0226   -0.4557   -1.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4155   -1.9272   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0484   -1.3447   -0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686   -0.2006    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    0.6946    0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739   -0.7807    1.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0222   -1.0317   -0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0484   -1.3447   -0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155   -1.9272   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0226   -0.4557   -1.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4 16  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.535

$$$$
/home/frits/JRY_2b/Syn050492/Syn050492.car
 OpenBabel02252016533D

 23 24  0  0  1  0  0  0  0  0999 V2000
    0.6291   -0.3612   -0.3984 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5525   -1.2276    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451   -2.2643    0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508   -0.8487    0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5498   -1.5781    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164    0.5034    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2082    0.8347    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2821    1.4215   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    2.4698   -0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0092    0.9416   -0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697    1.6307   -0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -0.8022   -0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121   -0.2110   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480   -1.8486   -1.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6973   -0.6536    0.3830 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4136   -0.9610    1.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1861   -0.9539    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3675   -1.2484   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7443   -1.4102    0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6926    0.3705    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9726    1.6820    0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9785    2.0395    0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002    2.4057    0.5484 H   0  0  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  2  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  1  0  0  0
 17 20  1  0  0  0  0
 17 15  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 20 21  2  0  0  0  0
 20 15  1  0  0  0  0
 21 23  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.534

$$$$
/home/frits/JRY_2a/Syn127039/Syn127039.car
 OpenBabel02252016533D

 26 26  0  0  0  0  0  0  0  0999 V2000
   -0.7668   -0.5428    0.4646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7817   -1.0763   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064   -2.1327   -0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8920   -0.3400   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6732   -0.8127   -1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9607    1.0265   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007    1.6281   -0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295    1.6042    0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9563    2.6545    0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624    0.7813    0.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0547    1.2051    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3629   -1.3670    0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0537   -2.3105    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8293   -0.8744    1.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   -1.6492   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -2.1954   -1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670   -2.3164    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670   -0.3937   -0.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721   -0.7087   -1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3078    0.2250   -1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    0.3856    0.2386 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129   -0.1770    0.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546    1.6001   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5815    2.2488   -0.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0886    1.3669   -1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    2.1678    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 18 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  0  0  0  0
 23 26  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.524

$$$$
/home/frits/JRY_2c/Syn106525/Syn106525.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.9991    0.3802   -0.1685 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946   -0.1923   -0.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    0.0367   -1.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643   -1.0709   -0.0452 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911   -1.0829    1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036   -1.7554    1.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0407   -0.1483    1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    0.2117    1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8689    1.3949   -0.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393    0.9748   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2582    2.2668   -1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    1.6739   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7951   -1.8745   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -2.8779   -0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912   -1.9617   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1202   -1.2842    0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322   -1.9841   -0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -1.1612    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300    0.0209   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8044   -0.0136   -1.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2510    1.2907    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636    2.5545    0.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460    2.6894    1.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548    3.4104    0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 13  4  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  1  0  0  0  0
 19 21  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.488

$$$$
/home/frits/JRY_2c/Syn025595/Syn025595.car
 OpenBabel02252016533D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.8873    0.0229    0.6319 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    1.1715    0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872    2.0700    0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962    1.2440   -0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9449    2.1840   -1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    0.0629   -0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2857    0.0779   -1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8605   -1.1378   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -2.0633   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6351   -1.1047    0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2416   -2.0195    0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855    0.0130    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3903   -0.8408    2.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170    0.9172    1.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5618   -0.0507    0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3324    0.9722    0.2475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2650    1.9000    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2293    0.5626   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0014    1.2428   -0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0529   -0.7542   -0.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6570   -1.3363   -1.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9432   -1.1660   -0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826   -2.1442   -0.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 20 22  1  0  0  0  0
 21 20  1  0  0  0  0
 22 15  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.472

$$$$
/home/frits/JRY_2b/Syn081995/Syn081995.car
 OpenBabel02252016533D

 24 24  0  0  1  0  0  0  0  0999 V2000
    3.6267    0.7204    0.3088 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904    0.3574    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0204    1.4444   -0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3252    0.2301    0.0796 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7852   -0.7762    0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466   -1.1965    1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811   -1.2277    0.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.9994    1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2913   -0.7533   -0.3797 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2558    0.2144   -1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    0.5904   -1.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5482    0.7400   -0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9229    1.5130   -1.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466   -1.2699   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6181   -2.3514   -0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8959   -1.1200   -1.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6952   -0.6150    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106   -0.7413    1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6550   -1.1228    0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791    0.8344   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2770    1.0908   -0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5907    1.8281    0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    2.8618    0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1974    1.6269    1.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14  9  1  0  0  0  0
 14 17  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 20 22  2  0  0  0  0
 21 20  1  0  0  0  0
 22 24  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.466

$$$$
/home/frits/JRY_2a/Syn035951/Syn035951.car
 OpenBabel02252016533D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.5729    0.6517    0.1981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1658    1.4655    0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2806    0.6363    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.6624   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.9913   -0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719   -2.0115   -0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.0384   -0.3091 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9623    1.3236   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7189    2.1016   -0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3866    1.7035    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911    2.7396    0.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9352   -1.4649   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9909   -2.5429   -0.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9714   -0.5822    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0235   -0.8088    0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8447   -0.2424   -0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858    0.5898   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9394   -1.1389   -1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689   -0.4361    0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4874    0.4593    1.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397   -1.2717    1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6293   -0.6430    0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 13 12  1  0  0  0  0
 14  1  1  0  0  0  0
 14 15  1  0  0  0  0
 16  7  1  0  0  0  0
 16 19  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.447

$$$$
/home/frits/JRY_2c/Syn015322/Syn015322.car
 OpenBabel02252016533D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.0658   -0.8690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0406   -1.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838   -0.2228   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770   -0.9763   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793    0.3912    0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793    0.3912   -0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -0.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3698   -2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6281   -0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881    1.0121   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    1.4573   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5548    1.8435   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581    2.9232   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5965    1.8767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8165   -1.1975   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -1.8202    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7178   -0.5760    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966   -1.8199   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  1  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 13  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 15 16  1  0  0  0  0
 17 10  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.403

$$$$
/home/frits/JRY_2a/Syn039173/Syn039173.car
 OpenBabel02252016533D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.9299   -0.0351    0.6470 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5148    1.1520    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045    2.0537    0.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170    1.2600   -0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    2.2304   -0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.0742   -0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832    0.1161   -1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762   -1.1665   -0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456   -2.0967   -0.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5714   -1.1670    0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061   -2.1126    0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255   -0.0918    1.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491    0.7594    2.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3148   -0.9964    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193   -0.0794    0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2106    1.0254    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332    2.0691    0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869    0.6891   -0.6955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8459    1.3125   -1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537   -0.6062   -0.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8850   -1.1179   -1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1327   -1.1641   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -2.2109    0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10  1  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 16 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 20 22  2  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 22 15  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.400

$$$$
/home/frits/JRY_2c/Syn177998/Syn177998.car
 OpenBabel02252016533D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.2620    0.2128    0.0767 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7475   -0.7133    0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529   -1.0574    1.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4471   -1.2038    0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0154   -1.9455    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204   -0.7735   -0.3511 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362    0.1599   -1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3641    0.5093   -2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    0.6640   -0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9721    1.4071   -1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    0.6983    0.3253 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5494    1.7121    0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1637    0.5168   -0.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761   -1.2948   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9196   -1.1879   -1.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6527   -2.3682   -0.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262   -0.5974    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6909   -1.0975    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4543   -0.6922    1.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8871    0.8428   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714    1.0718   -1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5977    1.8610    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219    1.6885    1.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7438    2.8865    0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  2  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 20 17  1  0  0  0  0
 20 22  2  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.363

$$$$
/home/frits/JRY_2c/Syn019253/Syn019253.car
 OpenBabel02252016533D

 20 20  0  0  1  0  0  0  0  0999 V2000
    2.4006    0.4584   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7342    1.4196   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3156   -0.5732   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3222   -0.1448   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1904   -1.1817    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1904   -1.1817   -0.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    0.2475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4048   -1.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -1.9538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9986   -1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -2.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370   -0.0790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2636    1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    2.0039   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    1.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127    2.3866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2835   -0.2912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5512   -0.8535   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7991    0.6746    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5512   -0.8537    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  1  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  6  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13 15  2  0  0  0  0
 14 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.340

$$$$
/home/frits/JRY_2a/Syn005194/Syn005194.car
 OpenBabel02252016533D

 22 22  0  0  1  0  0  0  0  0999 V2000
    2.9309   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6784   -1.5040    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3874   -0.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628   -0.5641    0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8629   -0.5642   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5726    0.9423   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -0.0930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602   -1.1533   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9139   -2.1401   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582   -1.0361   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5467   -1.9358   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5186    0.2613   -0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3598    1.3722   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174    2.3900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7478    1.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4291    1.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9719    0.5082   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778    1.5500   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7544   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0165   -0.8841    0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2792    0.6415   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0164   -0.8844   -0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 17  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17  1  2  0  0  0  0
 18 17  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.306

$$$$
/home/frits/JRY_2c/Syn024218/Syn024218.car
 OpenBabel02252016533D

 24 24  0  0  1  0  0  0  0  0999 V2000
    3.1389    0.5625    0.2142 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229    1.5394    0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867   -0.4106    0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472   -1.0882   -0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0574    0.0756    0.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8359   -0.9594    1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581    0.2690   -0.0076 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8594    1.3377   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1925    2.3708   -0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4979    1.0374   -0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010    1.8452   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0075   -0.2243   -0.4593 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312   -1.2395   -0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5426   -2.2443   -0.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.0560   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8753   -1.9216    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342   -0.4662   -0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7788    0.2505   -1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5490   -1.4678   -1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2153   -0.3578    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9953   -1.0632    1.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1811    0.5581    0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4450    1.2817    0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7213    0.5890    1.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  7 15  1  0  0  0  0
  7  1  1  1  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 12  1  0  0  0  0
 17 20  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 22  2  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.261

$$$$
/home/frits/JRY_2a/Syn107038/Syn107038.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.8044    0.8259   -0.3062 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1679    1.7740   -0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959    0.6535   -0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.6104   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161   -1.5217   -0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5919   -0.7809   -0.0392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3406    0.3332    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4095    0.1875    0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8061    1.6310    0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477    2.4883    0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4180    1.7902    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104    2.7867    0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7392   -0.2719   -0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1406   -0.9605    0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8752   -1.7465    0.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781   -1.4157    1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5838   -0.2441    1.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1637   -2.1250   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2474   -2.0746    0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -2.5457   -1.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111   -2.7340    0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    0.1589   -0.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3189   -0.9838   -1.2364 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
  3 11  1  0  0  0  0
  4  3  2  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11  9  1  0  0  0  0
 13  1  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 18  6  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 20 18  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.251

$$$$
/home/frits/JRY_2c/Syn010738/Syn010738.car
 OpenBabel02252016533D

 25 26  0  0  1  0  0  0  0  0999 V2000
    2.0289    0.1098    0.0779 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960    0.2748    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4205    1.1835    0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0592   -0.8023    0.3248 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496   -1.7280   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4007   -2.6850   -0.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202   -1.1419   -0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684   -1.4631   -0.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951    1.1054    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    2.0375    0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755    1.0159   -0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6822    0.1233   -0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9429    1.8614   -0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483   -0.9450    0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -2.0043    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4979   -0.3851    1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2589   -0.4528   -0.4421 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0582   -0.7307   -1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7755   -0.3845   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298   -0.7130    0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292   -0.6098   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9526    0.7806   -0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8789    2.1189   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428    2.6324   -0.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7567    2.7089    0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  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 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  6  0  0  0
 17 22  1  0  0  0  0
 17 19  1  0  0  0  0
 17 14  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
 22 23  2  0  0  0  0
 22 19  1  0  0  0  0
 23 25  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.251

$$$$
/home/frits/JRY_2a/Syn071167/Syn071167.car
 OpenBabel02252016533D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.9520    0.3585    0.3561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6426    1.0565    0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831    0.5502    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0612   -0.6420   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951   -0.7483   -0.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7834   -1.6851   -0.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409    0.3995   -0.4204 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4233    1.5784   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0611    2.4565   -0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9501    1.7327    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877    2.6932    0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0424   -1.6015   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9522   -2.6606   -0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1768   -0.9073    0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1777   -1.2963    0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770    0.3426   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900    1.3178   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6322   -0.3885   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630    0.0013    0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318    0.6943    1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0132   -1.1104    0.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687   -1.3067    1.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0847   -1.8324   -0.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  4  3  2  0  0  0  0
  5  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14  1  1  0  0  0  0
 16  7  1  0  0  0  0
 16 19  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 21  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.179

$$$$
/home/frits/JRY_2a/Syn114413/Syn114413.car
 OpenBabel02252016533D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -1.2079    0.7956   -0.0533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.4728   -0.3630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -1.2903    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466   -2.3556   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7366   -0.6751    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -1.1019    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3669    0.6192    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9288    1.4796    0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576    2.0122   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0493    2.8764   -0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2842    2.0585   -1.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4845    1.9843    0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306   -0.7341   -1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    0.0047   -1.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584   -1.7186   -1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558   -0.7288   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969   -1.4281    0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    0.0867   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7945    0.7820   -0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    0.0922    0.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    1.0823    1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037   -0.6376    1.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7913   -0.1478    0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11  9  1  0  0  0  0
 13  2  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.169

$$$$
/home/frits/JRY_2a/Syn115994/Syn115994.car
 OpenBabel02252016533D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.9253   -0.0466    0.3517 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    1.1360   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    2.0379    0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    1.1668   -0.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070    2.1057   -0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    0.0357   -0.8137 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9366   -1.1391   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502   -2.0444   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142   -1.1918    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493   -2.1263    0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300   -0.0533    0.9453 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325   -0.6786    0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1608   -0.4452    1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9525    0.0695   -1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365   -0.7995   -2.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294    0.9602   -2.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359    0.0669   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588   -0.9836   -0.1648 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138   -1.8924   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5787   -0.6308    0.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3001   -1.3431    1.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    0.6751    1.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9461    1.2140    1.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709    1.1431    0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9349    2.1325    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 14  6  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.155

$$$$
