/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10b/Syn123042/Syn123042.car
 OpenBabel03062011053D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.0360   -0.1491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8678    0.4336   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1654   -1.1569   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916    0.4185   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    1.5031   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515   -0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919   -1.3916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515    0.3067   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919    1.3916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7916   -0.4185   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -1.5031   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360    0.1491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1654    1.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8678   -0.4336   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  4  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 11  1  0  0  0  0
 10  8  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-21.531

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10a/Syn044841/Syn044841.car
 OpenBabel03062011053D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.1576    0.6737   -0.1362 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562    1.6309   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3478    0.2321   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950   -1.0550    0.1257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1153   -1.4562    0.0710 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5814   -0.3700   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598   -0.3613   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807   -1.1588    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3234   -0.5829   -1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463    0.9203    0.1807 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567    0.8884    0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048    1.0879    1.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4713    1.0217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892    0.6022    0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993    2.0286   -0.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  3  1  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-20.521

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10a/Syn033622/Syn033622.car
 OpenBabel03062011053D

 15 14  0  0  1  0  0  0  0  0999 V2000
   -1.3772    1.2274   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199    2.1322   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930    1.2498   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    0.0302   -0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6921   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -1.2193   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -1.2448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408   -2.1272   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968    1.0940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5112    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278    2.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6040   -1.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464   -1.1604   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0796   -2.1267    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -1.1604    0.8860 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  1  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  1  0  0  0  0
M  RAD  1   4   2
M  END
>  <MD_stabilization_energy>
-20.484

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10b/Syn110505/Syn110505.car
 OpenBabel03062011053D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.4437   -1.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0294   -2.0842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599   -1.1403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4437   -1.1585   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294   -2.0842   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4599   -1.1403   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4437    1.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294    2.0842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4599    1.1403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    1.1585   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    1.1403   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0294    2.0842   -0.0000 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  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-20.480

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10c/Syn020634/Syn020634.car
 OpenBabel03062011053D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.2703   -1.0513   -0.2197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9441   -1.7681   -0.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282   -1.3447   -0.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5941   -0.2117    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2446    0.7541    0.2810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667    0.2225   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410    0.9298   -0.0707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4129    0.4647   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5471    1.9287    0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0409   -0.0559    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1795    0.5314    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822   -1.0416    0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325    0.5841   -0.6032 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    1.5423   -0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7275    0.6573   -0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-20.415

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10a/Syn021324/Syn021324.car
 OpenBabel03062011053D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.5629   -0.2103   -0.4512 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442    0.2428   -0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    0.1151   -1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    0.2042    0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3884    1.2857    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8723   -0.0008    1.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444   -0.5491    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3392   -1.6281    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9960   -0.0348    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0799   -0.8698   -0.1293 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9844   -1.8795   -0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0151   -0.5186   -0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2641    1.3124   -0.0968 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013    1.6589   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446    2.0225   -0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  7  8  1  0  0  0  0
  7  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
M  RAD  1   7   2
M  END
>  <MD_stabilization_energy>
-20.073

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10a/Syn072053/Syn072053.car
 OpenBabel03062011053D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.9866   -0.9351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9573   -0.6327   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8278   -1.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373   -0.0442   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3515   -0.4930   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286   -1.5646   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5449    0.3231   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4467    1.4012   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7842   -0.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530    0.4441   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9498   -1.2747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2902    1.2890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011    2.0342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2618    1.5882    0.0000 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  2  0  0  0  0
  4 12  1  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  9  2  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 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  RAD  1   5   2
M  END
>  <MD_stabilization_energy>
-20.070

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10c/Syn009841/Syn009841.car
 OpenBabel03062011053D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.1417    1.2133    0.0992 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171    2.1077    0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    1.1208   -0.1115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -0.1483   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3907   -0.8505    0.1955 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628   -0.0039    0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737   -0.3691    0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326   -1.4041    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3607    0.2683    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -0.2067   -0.6514 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5187   -0.8747   -1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7696   -0.4314   -0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816   -0.6795   -0.2000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259   -1.6818   -0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4747   -0.0742   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 13 14  1  0  0  0  0
 13  4  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-19.945

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10a/Syn033575/Syn033575.car
 OpenBabel03062011053D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.3664   -0.0146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6727    0.9542   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0822   -0.7352    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0402   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.4228    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0451    0.5691   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2899    1.6267   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3216    0.1954   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2810    1.0780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3132    2.0902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3614    0.3502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420   -0.9046   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417   -1.0421   -0.0000 N   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  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  2  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-19.726

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10a/Syn021331/Syn021331.car
 OpenBabel03062011053D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.0309    0.6430   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001    1.3019   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570    1.0528   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0358   -0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892   -1.0688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -0.6494   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8652   -1.2887   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3877   -0.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0156   -1.1866   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3680   -1.9866   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    1.1171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989    1.1354   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5983    2.0109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  3  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-19.582

$$$$
/home/frits/C2ADSORPTIONPAPER/DATA/NAT_10b/Syn029530/Syn029530.car
 OpenBabel03062011053D

 17 16  0  0  0  0  0  0  0  0999 V2000
    0.1831    0.3760   -0.6048 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152    1.3491   -0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209   -0.5432   -0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236   -1.5531   -0.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4012   -0.2452   -1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9268   -0.5460    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027   -1.2945    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4229   -0.8228    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448    0.7685    0.4806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2101    0.7397    1.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0860    1.0108   -0.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815    0.0086   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6256   -1.2842    0.4041 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543   -1.3856    0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111    1.0205    0.1752 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1459    1.9806   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158    0.8567    0.6082 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
  3  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-19.485

$$$$
