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dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate
dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate ID: AN-19775
CAS:1634-02-2
Supplier:AN PharmaTech Co Ltd

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SMILES:S(SC(=S)N(CCCC)CCCC)C(=S)N(CCCC)CCCC	15412
FORMULA: C18H36N2S4
MASS: 408.7518
EXACT MASS: 408.1761332
INTERATOMIC DISTANCES

              S   1      S   2      S   3      S   4      N   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   S   2    1.0000     0.0000 
   S   3    1.7321     2.0000     0.0000 
   S   4    2.0000     1.7320     3.6056     0.0000 
   N   5    1.7321     2.6458     1.7320     3.6055     0.0000 
   N   6    2.6457     1.7320     3.6055     1.7320     4.3589     0.0000 
   C   7    2.6458     3.4641     2.0000     4.5826     1.0000     5.1961 
   C   8    2.0000     3.0000     2.6457     3.4641     1.0000     4.5826 
   C   9    3.4641     2.6458     4.5826     2.0000     5.1962     1.0001 
   C  10    2.9999     2.0000     3.4641     2.6457     4.5826     1.0000 
   C  11    4.0000     3.0000     4.3590     3.4641     5.5678     1.7321 
   C  12    4.3589     3.4641     5.2915     3.0000     6.0828     1.7321 
   C  13    3.0000     4.0000     3.4641     4.3589     1.7320     5.5677 
   C  14    3.4642     4.3590     3.0000     5.2915     1.7321     6.0828 
   C  15    4.5826     3.6056     4.5826     4.3589     6.0000     2.6458 
   C  16    5.1961     4.3589     6.2450     3.6055     6.9282     2.6458 
   C  17    3.6056     4.5826     4.3589     4.5826     2.6457     6.0000 
   C  18    4.3590     5.1962     3.6055     6.2450     2.6458     6.9282 
   C  19    1.7320     1.0000     3.0000     1.0000     3.4641     1.0000 
   C  20    1.0001     1.7321     1.0000     3.0000     1.0000     3.4641 
   C  21    5.1962     6.0828     4.5826     7.0000     3.4641     7.8102 
   C  22    4.5827     5.5678     5.1962     5.5678     3.4641     7.0000 
   C  23    6.0827     5.1961     7.0000     4.5826     7.8102     3.4641 
   C  24    5.5677     4.5826     5.5678     5.1962     7.0000     3.4641 
   H  25    3.1671     2.1943     3.3039     3.1512     4.6148     1.5967 
   H  26    2.4266     1.4331     2.8555     2.4059     3.9715     1.0812 
   H  27    3.1021     2.4059     4.3997     1.4332     4.8210     1.0812 
   H  28    3.8917     3.1512     5.1245     2.1944     5.6148     1.5968 
   H  29    2.1943     3.1671     3.1512     3.3038     1.5967     4.6147 
   H  30    1.4332     2.4267     2.4059     2.8555     1.0812     3.9715 
   H  31    2.4060     3.1022     1.4332     4.3997     1.0812     4.8210 
   H  32    3.1512     3.8917     2.1943     5.1244     1.5967     5.6147 
   H  33    3.9399     2.9561     4.5430     3.1022     5.5909     1.4156 
   H  34    4.5875     3.5888     4.9779     3.8917     6.1774     2.1829 
   H  35    4.8281     3.8917     5.6193     3.5888     6.5338     2.1829 
   H  36    4.0507     3.1022     4.8264     2.9561     5.7470     1.4156 
   H  37    2.9562     3.9400     3.1022     4.5430     1.4156     5.5909 
   H  38    3.5889     4.5875     3.8917     4.9779     2.1829     6.1774 
   H  39    3.8918     4.8282     3.5888     5.6193     2.1829     6.5338 
   H  40    3.1022     4.0507     2.9560     4.8263     1.4155     5.7469 
   H  41    4.8384     3.8981     4.6148     4.8281     6.1381     3.1512 
   H  42    4.0630     3.1102     3.9716     4.0506     5.4215     2.4059 
   H  43    4.8210     4.0507     5.9981     3.1102     6.5469     2.4060 
   H  44    5.6147     4.8281     6.7558     3.8981     7.3421     3.1512 
   H  45    3.8982     4.8385     4.8281     4.6148     3.1512     6.1381 
   H  46    3.1102     4.0630     4.0506     3.9715     2.4059     5.4215 
   H  47    4.0507     4.8210     3.1101     5.9980     2.4059     6.5468 
   H  48    4.8282     5.6148     3.8981     6.7558     3.1512     7.3421 
   H  49    5.5323     6.3723     4.7390     7.3996     3.8121     8.1043 
   H  50    5.7415     6.6486     5.1927     7.4969     4.0130     8.3704 
   H  51    4.9156     5.8449     4.5067     6.6344     3.1995     7.5557 
   H  52    4.5068     5.5056     4.9156     5.6973     3.1995     7.0274 
   H  53    5.1928     6.1810     5.7415     6.1810     4.0130     7.6200 
   H  54    4.7391     5.6972     5.5322     5.5055     3.8121     7.0274 
   H  55    6.3722     5.5322     7.3996     4.7390     8.1043     3.8121 
   H  56    6.6486     5.7415     7.4970     5.1928     8.3705     4.0131 
   H  57    5.8448     4.9155     6.6344     4.5067     7.5557     3.1995 
   H  58    5.5055     4.5067     5.6973     4.9156     7.0274     3.1995 
   H  59    6.1809     5.1927     6.1810     5.7415     7.6200     4.0130 
   H  60    5.6972     4.7390     5.5055     5.5322     7.0274     3.8121 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    6.0828     5.2915     0.0000 
   C  10    5.2915     5.0000     1.7321     0.0000 
   C  11    6.2450     6.0000     2.0000     1.0001     0.0000 
   C  12    6.9282     6.2450     1.0000     2.0000     1.7320     0.0000 
   C  13    2.0000     1.0000     6.2450     6.0000     7.0000     7.2111 
   C  14    1.0001     2.0000     6.9283     6.2450     7.2112     7.8103 
   C  15    6.5575     6.5575     3.0000     1.7321     1.0000     2.6457 
   C  16    7.8102     7.0000     1.7320     3.0000     2.6457     1.0000 
   C  17    3.0000     1.7320     6.5575     6.5574     7.5499     7.5498 
   C  18    1.7321     3.0000     7.8103     7.0000     7.9373     8.6603 
   C  19    4.3589     3.6055     1.7321     1.7320     2.6458     2.6458 
   C  20    1.7320     1.7320     4.3590     3.6055     4.5826     5.1962 
   C  21    2.6458     3.6055     8.6603     7.9372     8.8882     9.5394 
   C  22    3.6056     2.6458     7.5499     7.5499     8.5441     8.5441 
   C  23    8.6602     7.9372     2.6457     3.6055     2.9999     1.7320 
   C  24    7.5498     7.5499     3.6055     2.6458     1.7320     3.0000 
   H  25    5.2293     5.1440     2.3451     0.6200     1.0813     2.5068 
   H  26    4.6715     4.4224     2.0296     0.6200     1.5969     2.5069 
   H  27    5.7469     4.8263     0.6200     2.0295     2.5068     1.5968 
   H  28    6.5338     5.6193     0.6199     2.3451     2.5068     1.0812 
   H  29    2.3451     0.6200     5.2293     5.1440     6.1381     6.2097 
   H  30    2.0295     0.6200     4.6716     4.4224     5.4215     5.6266 
   H  31    0.6199     2.0295     5.7470     4.8263     5.7557     6.5469 
   H  32    0.6199     2.3450     6.5338     5.6192     6.5415     7.3421 
   H  33    6.3409     5.9239     1.4332     1.0813     0.6200     1.1266 
   H  34    6.8636     6.5860     2.1943     1.5968     0.6199     1.6279 
   H  35    7.3421     6.7558     1.5967     2.1944     1.6278     0.6199 
   H  36    6.5469     5.9981     1.0812     1.4333     1.1267     0.6199 
   H  37    1.4332     1.0813     6.3410     5.9239     6.9194     7.2796 
   H  38    2.1944     1.5968     6.8637     6.5860     7.5856     7.8279 
   H  39    1.5968     2.1944     7.3422     6.7558     7.7335     8.2506 
   H  40    1.0812     1.4332     6.5469     5.9980     6.9830     7.4597 
   H  41    6.6126     6.7706     3.5889     2.1829     1.5967     3.2657 
   H  42    5.9534     6.0148     2.9561     1.4155     1.0812     2.8113 
   H  43    7.4597     6.5508     1.4155     2.9561     2.8113     1.0812 
   H  44    8.2505     7.3455     2.1828     3.5888     3.2656     1.5967 
   H  45    3.5889     2.1829     6.6127     6.7706     7.7497     7.6120 
   H  46    2.9561     1.4155     5.9534     6.0147     7.0009     6.9482 
   H  47    1.4155     2.9560     7.4597     6.5507     7.4664     8.2753 
   H  48    2.1829     3.5888     8.2506     7.3455     8.2567     9.0712 
   H  49    2.9083     4.0750     8.9864     8.1612     9.0888     9.8364 
   H  50    3.2380     4.0601     9.2024     8.5255     9.4829    10.0957 
   H  51    2.5121     3.1879     8.3675     7.7564     8.7272     9.2744 
   H  52    3.1880     2.5121     7.6459     7.5041     8.5037     8.6290 
   H  53    4.0601     3.2380     8.1661     8.1660     9.1611     9.1611 
   H  54    4.0750     2.9083     7.5041     7.6458     8.6290     8.5036 
   H  55    8.9863     8.1612     2.9082     4.0750     3.5504     2.1114 
   H  56    9.2024     8.5255     3.2380     4.0602     3.3533     2.2901 
   H  57    8.3674     7.7564     2.5120     3.1879     2.4824     1.5200 
   H  58    7.6458     7.5041     3.1879     2.5121     1.5200     2.4825 
   H  59    8.1660     8.1660     4.0601     3.2380     2.2900     3.3533 
   H  60    7.5040     7.6458     4.0750     2.9083     2.1114     3.5505 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7321     0.0000 
   C  15    7.5499     7.5499     0.0000 
   C  16    7.9372     8.6603     3.4641     0.0000 
   C  17    1.0000     2.6458     8.1854     8.1853     0.0000 
   C  18    2.6458     1.0000     8.1854     9.5394     3.4641     0.0000 
   C  19    4.5826     5.1962     3.4641     3.4641     5.0000     6.0828 
   C  20    2.6457     2.6458     5.0001     6.0828     3.4641     3.4641 
   C  21    3.0000     1.7320     9.1652    10.3923     3.6056     1.0000 
   C  22    1.7321     3.0000     9.1652     9.1652     1.0001     3.6055 
   C  23    8.8881     9.5394     3.6055     1.0000     9.1651    10.3923 
   C  24    8.5440     8.5441     1.0000     3.6055     9.1651     9.1652 
   H  25    6.1381     6.2098     1.4156     3.4977     6.7706     6.9001 
   H  26    5.4215     5.6266     2.1830     3.4977     6.0147     6.3803 
   H  27    5.7556     6.5469     3.4977     2.1829     6.0148     7.4597 
   H  28    6.5415     7.3422     3.4977     1.4155     6.7706     8.2506 
   H  29    1.0813     2.5069     6.7706     6.9000     1.4156     3.4978 
   H  30    1.5968     2.5069     6.0148     6.3803     2.1829     3.4977 
   H  31    2.5068     1.5968     6.0149     7.4597     3.4977     2.1829 
   H  32    2.5068     1.0812     6.7706     8.2505     3.4977     1.4156 
   H  33    6.9193     7.2796     1.5967     2.0783     7.3967     8.0587 
   H  34    7.5855     7.8279     1.0812     2.3875     8.1090     8.5572 
   H  35    7.7334     8.2506     2.3875     1.0812     8.1090     9.0712 
   H  36    6.9830     7.4598     2.0784     1.5967     7.3968     8.2754 
   H  37    0.6200     1.1266     7.3968     8.0587     1.5967     2.0783 
   H  38    0.6200     1.6279     8.1091     8.5572     1.0812     2.3875 
   H  39    1.6279     0.6199     8.1091     9.0712     2.3875     1.0812 
   H  40    1.1267     0.6200     7.3968     8.2753     2.0784     1.5968 
   H  41    7.7496     7.6120     0.6200     4.0761     8.4393     8.1849 
   H  42    7.0009     6.9483     0.6200     3.7220     7.6679     7.5716 
   H  43    7.4664     8.2754     3.7220     0.6199     7.6679     9.1797 
   H  44    8.2566     9.0712     4.0760     0.6199     8.4393     9.9726 
   H  45    1.5967     3.2657     8.4394     8.1849     0.6200     4.0761 
   H  46    1.0812     2.8114     7.6679     7.5715     0.6200     3.7220 
   H  47    2.8113     1.0812     7.6679     9.1796     3.7220     0.6200 
   H  48    3.2657     1.5967     8.4394     9.9726     4.0761     0.6199 
   H  49    3.5505     2.1114     9.3023    10.7158     4.2047     1.1766 
   H  50    3.3533     2.2900     9.7747    10.9336     3.8242     1.6199 
   H  51    2.4825     1.5200     9.0685    10.0966     3.0148     1.1766 
   H  52    1.5201     2.4825     9.0685     9.3023     1.1767     3.0148 
   H  53    2.2901     3.3533     9.7747     9.7747     1.6200     3.8242 
   H  54    2.1114     3.5505     9.3023     9.0685     1.1766     4.2047 
   H  55    9.0887     9.8364     4.2047     1.1766     9.3022    10.7158 
   H  56    9.4829    10.0958     3.8242     1.6200     9.7747    10.9337 
   H  57    8.7271     9.2744     3.0147     1.1766     9.0684    10.0966 
   H  58    8.5036     8.6290     1.1766     3.0148     9.0685     9.3023 
   H  59    9.1610     9.1611     1.6199     3.8242     9.7747     9.7747 
   H  60    8.6289     8.5036     1.1766     4.2047     9.3022     9.0685 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.6458     0.0000 
   C  21    6.9282     4.3589     0.0000 
   C  22    6.0000     4.3589     3.4641     0.0000 
   C  23    4.3589     6.9282    11.2694    10.1489     0.0000 
   C  24    4.3589     6.0000    10.1489    10.1489     3.4641     0.0000 
   H  25    2.1829     3.6167     7.8630     7.7497     4.0023     2.4059 
   H  26    1.4155     2.9898     7.3173     7.0009     4.1713     3.1513 
   H  27    1.4155     4.0507     8.2753     7.0009     3.1512     4.1712 
   H  28    2.1829     4.8282     9.0712     7.7497     2.4059     4.0023 
   H  29    3.6166     2.1828     4.0024     2.4060     7.8629     7.7496 
   H  30    2.9898     1.4155     4.1713     3.1513     7.3173     7.0009 
   H  31    4.0507     1.4155     3.1512     4.1712     8.2753     7.0009 
   H  32    4.8281     2.1828     2.4060     4.0023     9.0711     7.7496 
   H  33    2.4059     4.6339     8.9848     8.3963     2.5563     2.1829 
   H  34    3.1512     5.1957     9.5074     9.1062     2.5563     1.4155 
   H  35    3.1512     5.6148     9.9726     9.1061     1.4155     2.5564 
   H  36    2.4060     4.8211     9.1797     8.3963     2.1828     2.5564 
   H  37    4.6339     2.4059     2.5563     2.1829     8.9848     8.3963 
   H  38    5.1957     3.1512     2.5563     1.4155     9.5074     9.1062 
   H  39    5.6148     3.1512     1.4155     2.5564     9.9726     9.1061 
   H  40    4.8210     2.4059     2.1829     2.5564     9.1796     8.3962 
   H  41    3.8917     5.1440     9.1764     9.4041     4.1712     1.0813 
   H  42    3.1021     4.4225     8.5535     8.6390     4.0023     1.5968 
   H  43    3.1022     5.7470    10.0051     8.6391     1.5967     4.0023 
   H  44    3.8917     6.5338    10.8012     9.4041     1.0812     4.1712 
   H  45    5.1440     3.8917     4.1712     1.0813     9.1764     9.4041 
   H  46    4.4224     3.1021     4.0024     1.5969     8.5534     8.6389 
   H  47    5.7469     3.1021     1.5968     4.0023    10.0050     8.6390 
   H  48    6.5338     3.8917     1.0812     4.1712    10.8012     9.4041 
   H  49    7.2581     4.6402     0.6200     4.0840    11.5684    10.2729 
   H  50    7.4715     4.9339     0.6200     3.5191    11.8230    10.7603 
   H  51    6.6399     4.1517     0.6200     2.8441    10.9973    10.0616 
   H  52    6.0320     4.1517     2.8441     0.6200    10.2729    10.0617 
   H  53    6.6200     4.9340     3.5191     0.6200    10.7603    10.7603 
   H  54    6.0320     4.6403     4.0840     0.6200    10.0616    10.2729 
   H  55    4.6402     7.2581    11.5684    10.2729     0.6200     4.0840 
   H  56    4.9340     7.4716    11.8231    10.7604     0.6201     3.5192 
   H  57    4.1517     6.6399    10.9973    10.0616     0.6200     2.8441 
   H  58    4.1517     6.0320    10.2729    10.0617     2.8441     0.6200 
   H  59    4.9340     6.6200    10.7603    10.7603     3.5191     0.6200 
   H  60    4.6403     6.0320    10.0616    10.2729     4.0840     0.6200 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.7971     0.0000 
   H  27    2.6462     2.1561     0.0000 
   H  28    2.9532     2.6463     0.7971     0.0000 
   H  29    5.3564     4.5991     4.7174     5.4954     0.0000 
   H  30    4.5992     3.8581     4.2078     5.0015     0.7971     0.0000 
   H  31    4.7175     4.2078     5.4611     6.2332     2.6463     2.1561 
   H  32    5.4954     5.0014     6.2331     7.0107     2.9532     2.6462 
   H  33    1.4515     1.6889     1.9884     1.9015     6.0000     5.3246 
   H  34    1.6888     2.2064     2.7727     2.5913     6.7021     6.0000 
   H  35    2.5913     2.7728     2.2063     1.6887     6.7517     6.1409 
   H  36    1.9015     1.9885     1.6888     1.4514     6.0217     5.3870 
   H  37    6.0000     5.3246     5.8923     6.6875     1.4516     1.6889 
   H  38    6.7022     6.0000     6.3756     7.1615     1.6889     2.2064 
   H  39    6.7518     6.1409     6.9282     7.7253     2.5914     2.7728 
   H  40    6.0217     5.3870     6.1311     6.9282     1.9015     1.9884 
   H  41    1.7320     2.5292     4.0618     4.1032     7.0322     6.2572 
   H  42    0.9350     1.7321     3.3739     3.5152     6.2572     5.4885 
   H  43    3.5152     3.3740     1.7321     0.9350     6.4140     5.9338 
   H  44    4.1032     4.0618     2.5291     1.7320     7.2003     6.7291 
   H  45    7.0322     6.2572     6.0432     6.7710     1.7321     2.5292 
   H  46    6.2572     5.4884     5.4046     6.1563     0.9350     1.7320 
   H  47    6.4140     5.9337     7.1457     7.9279     3.5152     3.3739 
   H  48    7.2004     6.7291     7.9279     8.7128     4.1032     4.0618 
   H  49    8.0421     7.5423     8.6312     9.4233     4.5147     4.6117 
   H  50    8.4643     7.9059     8.8001     9.5971     4.4011     4.6482 
   H  51    7.7296     7.1392     7.9519     8.7490     3.5249     3.7814 
   H  52    7.6558     6.9325     7.1228     7.8914     2.4201     3.0829 
   H  53    8.3591     7.6141     7.6141     8.3592     3.0232     3.7600 
   H  54    7.8913     7.1227     6.9326     7.6558     2.5475     3.3355 
   H  55    4.5146     4.6117     3.3355     2.5474     8.0420     7.5423 
   H  56    4.4011     4.6483     3.7600     3.0231     8.4643     7.9060 
   H  57    3.5248     3.7814     3.0828     2.4199     7.7295     7.1392 
   H  58    2.4200     3.0829     3.7814     3.5248     7.6557     6.9325 
   H  59    3.0231     3.7600     4.6482     4.4010     8.3591     7.6141 
   H  60    2.5475     3.3355     4.6117     4.5145     7.8912     7.1227 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.7970     0.0000 
   H  33    5.8923     6.6874     0.0000 
   H  34    6.3756     7.1614     0.7971     0.0000 
   H  35    6.9282     7.7252     1.1417     1.3080     0.0000 
   H  36    6.1312     6.9282     0.5110     1.1418     0.7970     0.0000 
   H  37    1.9884     1.9015     6.8937     7.5201     7.7727     7.0023 
   H  38    2.7727     2.5913     7.5201     8.1762     8.3469     7.5930 
   H  39    2.2063     1.6888     7.7727     8.3469     8.7128     7.9280 
   H  40    1.6887     1.4514     7.0022     7.5929     7.9279     7.1458 
   H  41    6.0432     6.7709     2.2063     1.6888     2.9967     2.6948 
   H  42    5.4047     6.1563     1.6888     1.4514     2.6819     2.1997 
   H  43    7.1458     7.9279     2.1997     2.6819     1.4514     1.6887 
   H  44    7.9279     8.7127     2.6947     2.9967     1.6887     2.2062 
   H  45    4.0618     4.1032     7.5499     8.2873     8.1904     7.5084 
   H  46    3.3739     3.5152     6.8257     7.5498     7.5129     6.8098 
   H  47    1.7320     0.9350     7.6206     8.0859     8.6602     7.8632 
   H  48    2.5291     1.7321     8.4164     8.8759     9.4573     8.6603 
   H  49    3.3355     2.5475     9.2244     9.7087    10.2442     9.4480 
   H  50    3.7599     3.0231     9.5664    10.1013    10.5403     9.7497 
   H  51    3.0828     2.4199     8.7825     9.3429     9.7329     8.9465 
   H  52    3.7814     3.5248     8.4003     9.0827     9.1716     8.4380 
   H  53    4.6482     4.4011     9.0160     9.7246     9.7246     9.0160 
   H  54    4.6117     4.5146     8.4379     9.1715     9.0827     8.4003 
   H  55    8.6312     9.4232     3.0632     3.1429     1.9300     2.6419 
   H  56    8.8002     9.5971     2.9854     2.8385     1.8778     2.6726 
   H  57    7.9519     8.7489     2.1106     1.9901     1.0254     1.8216 
   H  58    7.1228     7.8913     1.8217     1.0254     1.9902     2.1107 
   H  59    7.6141     8.3591     2.6726     1.8777     2.8385     2.9854 
   H  60    6.9326     7.6557     2.6420     1.9300     3.1429     3.0633 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.7971     0.0000 
   H  39    1.1417     1.3080     0.0000 
   H  40    0.5109     1.1418     0.7971     0.0000 
   H  41    7.5499     8.2873     8.1904     7.5084     0.0000 
   H  42    6.8258     7.5499     7.5130     6.8098     0.7971     0.0000 
   H  43    7.6207     8.0860     8.6603     7.8632     4.3419     3.8881 
   H  44    8.4164     8.8759     9.4573     8.6602     4.6852     4.3419 
   H  45    2.2063     1.6888     2.9967     2.6948     8.7300     7.9469 
   H  46    1.6888     1.4515     2.6819     2.1997     7.9468     7.1667 
   H  47    2.1996     2.6819     1.4514     1.6887     7.6423     7.0508 
   H  48    2.6947     2.9967     1.6887     2.2063     8.3959     7.8209 
   H  49    3.0632     3.1429     1.9300     2.6420     9.2727     8.6852 
   H  50    2.9853     2.8384     1.8777     2.6726     9.7921     9.1643 
   H  51    2.1106     1.9901     1.0254     1.8217     9.1214     8.4654 
   H  52    1.8217     1.0254     1.9902     2.1107     9.2692     8.5210 
   H  53    2.6726     1.8777     2.8385     2.9855    10.0058     9.2441 
   H  54    2.6420     1.9300     3.1429     3.0633     9.5774     8.7993 
   H  55    9.2244     9.7087    10.2442     9.4479     4.7787     4.5783 
   H  56    9.5665    10.1014    10.5404     9.7497     4.3463     4.2855 
   H  57    8.7825     9.3429     9.7329     8.9464     3.5681     3.4416 
   H  58    8.4003     9.0827     9.1716     8.4379     1.5201     1.7880 
   H  59    9.0160     9.7246     9.7246     9.0159     1.6309     2.2128 
   H  60    8.4379     9.1715     9.0827     8.4002     0.8924     1.6343 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.7970     0.0000 
   H  45    7.6424     8.3959     0.0000 
   H  46    7.0508     7.8208     0.7971     0.0000 
   H  47    8.8488     9.6359     4.3419     3.8881     0.0000 
   H  48    9.6360    10.4246     4.6852     4.3419     0.7971     0.0000 
   H  49   10.3534    11.1468     4.7787     4.5784     1.6344     0.8924 
   H  50   10.5320    11.3289     4.3462     4.2855     2.2128     1.6309 
   H  51    9.6840    10.4810     3.5681     3.4417     1.7880     1.5200 
   H  52    8.7994     9.5774     1.5201     1.7881     3.4416     3.5680 
   H  53    9.2442    10.0058     1.6309     2.2129     4.2855     4.3462 
   H  54    8.5210     9.2692     0.8924     1.6344     4.5783     4.7786 
   H  55    1.6343     0.8924     9.2727     8.6851    10.3533    11.1468 
   H  56    2.2128     1.6309     9.7921     9.1643    10.5320    11.3290 
   H  57    1.7879     1.5200     9.1214     8.4653     9.6839    10.4810 
   H  58    3.4416     3.5680     9.2692     8.5209     8.7993     9.5774 
   H  59    4.2855     4.3462    10.0058     9.2441     9.2441    10.0058 
   H  60    4.5783     4.7786     9.5774     8.7992     8.5209     9.2692 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.8768     0.0000 
   H  51    1.2399     0.8768     0.0000 
   H  52    3.4641     2.9109     2.2241     0.0000 
   H  53    4.1309     3.4641     2.9109     0.8768     0.0000 
   H  54    4.7040     4.1308     3.4641     1.2399     0.8768     0.0000 
   H  55   11.8922    12.1083    11.2694    10.4323    10.8773    10.1489 
   H  56   12.1084    12.3830    11.5640    10.8774    11.3727    10.6781 
   H  57   11.2694    11.5639    10.7541    10.1489    10.6780    10.0121 
   H  58   10.4323    10.8773    10.1489    10.0122    10.6781    10.1489 
   H  59   10.8773    11.3726    10.6780    10.6781    11.3727    10.8773 
   H  60   10.1489    10.6780    10.0121    10.1489    10.8773    10.4323 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    0.8768     0.0000 
   H  57    1.2399     0.8769     0.0000 
   H  58    3.4641     2.9109     2.2241     0.0000 
   H  59    4.1309     3.4641     2.9109     0.8768     0.0000 
   H  60    4.7040     4.1309     3.4641     1.2399     0.8768     0.0000 




ATOMIC CHARGES
   S   1   -0.0271238630
   S   2   -0.0271238630
   S   3   -0.0271238630
   S   4   -0.0271238630
   N   5   -0.3183923859
   N   6   -0.3183923859
   C   7    0.0131036436
   C   8    0.0131036436
   C   9    0.0131036436
   C  10    0.0131036436
   C  11   -0.0374500277
   C  12   -0.0374500277
   C  13   -0.0374500277
   C  14   -0.0374500277
   C  15   -0.0544911833
   C  16   -0.0544911833
   C  17   -0.0544911833
   C  18   -0.0544911833
   C  19    0.1199927927
   C  20    0.1199927927
   C  21   -0.0652274181
   C  22   -0.0652274181
   C  23   -0.0652274181
   C  24   -0.0652274181
   H  25    0.0463880292
   H  26    0.0463880292
   H  27    0.0463880292
   H  28    0.0463880292
   H  29    0.0463880292
   H  30    0.0463880292
   H  31    0.0463880292
   H  32    0.0463880292
   H  33    0.0280260338
   H  34    0.0280260338
   H  35    0.0280260338
   H  36    0.0280260338
   H  37    0.0280260338
   H  38    0.0280260338
   H  39    0.0280260338
   H  40    0.0280260338
   H  41    0.0263130690
   H  42    0.0263130690
   H  43    0.0263130690
   H  44    0.0263130690
   H  45    0.0263130690
   H  46    0.0263130690
   H  47    0.0263130690
   H  48    0.0263130690
   H  49    0.0229781271
   H  50    0.0229781271
   H  51    0.0229781271
   H  52    0.0229781271
   H  53    0.0229781271
   H  54    0.0229781271
   H  55    0.0229781271
   H  56    0.0229781271
   H  57    0.0229781271
   H  58    0.0229781271
   H  59    0.0229781271
   H  60    0.0229781271


BOND ANGLES
   2    1   20   S3   S3   C2    120.001
   1    2   19   S3   S3   C2    119.999
   7    5    8   C3  Nam   C3    120.001
   7    5   20   C3  Nam   C2    119.999
   8    5   20   C3  Nam   C2    120.001
   9    6   10   C3  Nam   C3    119.998
   9    6   19   C3  Nam   C2    120.001
  10    6   19   C3  Nam   C2    120.001
   5    7   14  Nam   C3   C3    120.001
   5    7   31  Nam   C3   HC     80.000
   5    7   32  Nam   C3   HC    160.002
  14    7   31   C3   C3   HC    159.999
  14    7   32   C3   C3   HC     79.997
  31    7   32   HC   C3   HC     80.002
   5    8   13  Nam   C3   C3    120.001
   5    8   29  Nam   C3   HC    159.996
   5    8   30  Nam   C3   HC     79.997
  13    8   29   C3   C3   HC     80.004
  13    8   30   C3   C3   HC    160.002
  29    8   30   HC   C3   HC     79.999
   6    9   12  Nam   C3   C3    120.001
   6    9   27  Nam   C3   HC     79.990
   6    9   28  Nam   C3   HC    159.999
  12    9   27   C3   C3   HC    160.009
  12    9   28   C3   C3   HC     80.000
  27    9   28   HC   C3   HC     80.009
   6   10   11  Nam   C3   C3    119.998
   6   10   25  Nam   C3   HC    160.004
   6   10   26  Nam   C3   HC     79.997
  11   10   25   C3   C3   HC     79.998
  11   10   26   C3   C3   HC    160.005
  25   10   26   HC   C3   HC     80.007
  10   11   15   C3   C3   C3    119.998
  10   11   33   C3   C3   HC     79.998
  10   11   34   C3   C3   HC    160.007
  15   11   33   C3   C3   HC    160.004
  15   11   34   C3   C3   HC     79.995
  33   11   34   HC   C3   HC     80.009
   9   12   16   C3   C3   C3    119.999
   9   12   35   C3   C3   HC    160.002
   9   12   36   C3   C3   HC     80.000
  16   12   35   C3   C3   HC     80.000
  16   12   36   C3   C3   HC    160.002
  35   12   36   HC   C3   HC     80.002
   8   13   17   C3   C3   C3    120.001
   8   13   37   C3   C3   HC     80.004
   8   13   38   C3   C3   HC    160.002
  17   13   37   C3   C3   HC    159.996
  17   13   38   C3   C3   HC     79.997
  37   13   38   HC   C3   HC     79.999
   7   14   18   C3   C3   C3    120.001
   7   14   39   C3   C3   HC    159.999
   7   14   40   C3   C3   HC     79.990
  18   14   39   C3   C3   HC     80.000
  18   14   40   C3   C3   HC    160.009
  39   14   40   HC   C3   HC     80.009
  11   15   24   C3   C3   C3    120.001
  11   15   41   C3   C3   HC    159.996
  11   15   42   C3   C3   HC     79.997
  24   15   41   C3   C3   HC     80.004
  24   15   42   C3   C3   HC    160.002
  41   15   42   HC   C3   HC     79.999
  12   16   23   C3   C3   C3    119.999
  12   16   43   C3   C3   HC     80.000
  12   16   44   C3   C3   HC    160.002
  23   16   43   C3   C3   HC    160.002
  23   16   44   C3   C3   HC     80.000
  43   16   44   HC   C3   HC     80.002
  13   17   22   C3   C3   C3    119.998
  13   17   45   C3   C3   HC    160.004
  13   17   46   C3   C3   HC     79.997
  22   17   45   C3   C3   HC     79.998
  22   17   46   C3   C3   HC    160.005
  45   17   46   HC   C3   HC     80.007
  14   18   21   C3   C3   C3    119.999
  14   18   47   C3   C3   HC     79.993
  14   18   48   C3   C3   HC    160.002
  21   18   47   C3   C3   HC    160.009
  21   18   48   C3   C3   HC     80.000
  47   18   48   HC   C3   HC     80.009
   2   19    4   S3   C2   S2    120.001
   2   19    6   S3   C2  Nam    119.999
   4   19    6   S2   C2  Nam    120.001
   1   20    3   S3   C2   S2    119.998
   1   20    5   S3   C2  Nam    120.001
   3   20    5   S2   C2  Nam    120.001
  18   21   49   C3   C3   HC     90.001
  18   21   50   C3   C3   HC    179.974
  18   21   51   C3   C3   HC     89.999
  49   21   50   HC   C3   HC     90.000
  49   21   51   HC   C3   HC    179.974
  50   21   51   HC   C3   HC     90.000
  17   22   52   C3   C3   HC     90.004
  17   22   53   C3   C3   HC    179.974
  17   22   54   C3   C3   HC     89.996
  52   22   53   HC   C3   HC     90.000
  52   22   54   HC   C3   HC    179.974
  53   22   54   HC   C3   HC     90.000
  16   23   55   C3   C3   HC     90.001
  16   23   56   C3   C3   HC    179.974
  16   23   57   C3   C3   HC     89.999
  55   23   56   HC   C3   HC     89.995
  55   23   57   HC   C3   HC    179.974
  56   23   57   HC   C3   HC     90.005
  15   24   58   C3   C3   HC     90.001
  15   24   59   C3   C3   HC    179.974
  15   24   60   C3   C3   HC     89.999
  58   24   59   HC   C3   HC     90.000
  58   24   60   HC   C3   HC    179.974
  59   24   60   HC   C3   HC     90.000


TORSION ANGLES
  20    1    2   19    179.974
   2    1   20    3      0.026
   2    1   20    5    179.974
   1    2   19    4      0.026
   1    2   19    6    179.974
   8    5    7   14      0.026
   8    5    7   31    179.974
   8    5    7   32    179.974
  20    5    7   14    179.974
  20    5    7   31      0.026
  20    5    7   32      0.026
   7    5    8   13      0.026
   7    5    8   29    179.974
   7    5    8   30    179.974
  20    5    8   13    179.974
  20    5    8   29      0.026
  20    5    8   30      0.026
   7    5   20    1    179.974
   7    5   20    3      0.026
   8    5   20    1      0.026
   8    5   20    3    179.974
  10    6    9   12      0.026
  10    6    9   27    179.974
  10    6    9   28    179.974
  19    6    9   12    179.974
  19    6    9   27      0.026
  19    6    9   28      0.026
   9    6   10   11      0.026
   9    6   10   25    179.974
   9    6   10   26    179.974
  19    6   10   11    179.974
  19    6   10   25      0.026
  19    6   10   26      0.026
   9    6   19    2    179.974
   9    6   19    4      0.026
  10    6   19    2      0.026
  10    6   19    4    179.974
   5    7   14   18    179.974
   5    7   14   39      0.026
   5    7   14   40      0.026
  31    7   14   18      0.026
  31    7   14   39    179.974
  31    7   14   40    179.974
  32    7   14   18      0.026
  32    7   14   39    179.974
  32    7   14   40    179.974
   5    8   13   17    179.974
   5    8   13   37      0.026
   5    8   13   38      0.026
  29    8   13   17      0.026
  29    8   13   37    179.974
  29    8   13   38    179.974
  30    8   13   17      0.026
  30    8   13   37    179.974
  30    8   13   38    179.974
   6    9   12   16    179.974
   6    9   12   35      0.026
   6    9   12   36      0.026
  27    9   12   16      0.026
  27    9   12   35    179.974
  27    9   12   36    179.974
  28    9   12   16      0.026
  28    9   12   35    179.974
  28    9   12   36    179.974
   6   10   11   15    179.974
   6   10   11   33      0.026
   6   10   11   34      0.026
  25   10   11   15      0.026
  25   10   11   33    179.974
  25   10   11   34    179.974
  26   10   11   15      0.026
  26   10   11   33    179.974
  26   10   11   34    179.974
  10   11   15   24    179.974
  10   11   15   41      0.026
  10   11   15   42      0.026
  33   11   15   24      0.026
  33   11   15   41    179.974
  33   11   15   42    179.974
  34   11   15   24      0.026
  34   11   15   41    179.974
  34   11   15   42    179.974
   9   12   16   23    179.974
   9   12   16   43      0.026
   9   12   16   44      0.026
  35   12   16   23      0.026
  35   12   16   43    179.974
  35   12   16   44    179.974
  36   12   16   23      0.026
  36   12   16   43    179.974
  36   12   16   44    179.974
   8   13   17   22    179.974
   8   13   17   45      0.026
   8   13   17   46      0.026
  37   13   17   22      0.026
  37   13   17   45    179.974
  37   13   17   46    179.974
  38   13   17   22      0.026
  38   13   17   45    179.974
  38   13   17   46    179.974
   7   14   18   21    179.974
   7   14   18   47      0.026
   7   14   18   48      0.026
  39   14   18   21      0.026
  39   14   18   47    179.974
  39   14   18   48    179.974
  40   14   18   21      0.026
  40   14   18   47    179.974
  40   14   18   48    179.974
  11   15   24   58      0.026
  11   15   24   59    179.974
  11   15   24   60    179.974
  41   15   24   58    179.974
  41   15   24   59      0.026
  41   15   24   60      0.026
  42   15   24   58    179.974
  42   15   24   59      0.026
  42   15   24   60      0.026
  12   16   23   55    179.974
  12   16   23   56    179.974
  12   16   23   57      0.026
  43   16   23   55      0.026
  43   16   23   56      0.026
  43   16   23   57    179.974
  44   16   23   55      0.026
  44   16   23   56      0.026
  44   16   23   57    179.974
  13   17   22   52      0.026
  13   17   22   53    179.974
  13   17   22   54    179.974
  45   17   22   52    179.974
  45   17   22   53      0.026
  45   17   22   54      0.026
  46   17   22   52    179.974
  46   17   22   53      0.026
  46   17   22   54      0.026
  14   18   21   49    179.974
  14   18   21   50      0.026
  14   18   21   51      0.026
  47   18   21   49      0.026
  47   18   21   50    179.974
  47   18   21   51    179.974
  48   18   21   49      0.026
  48   18   21   50    179.974
  48   18   21   51    179.974