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Di-n-octyltin oxide
Di-n-octyltin oxide ID: API-42662
CAS:870-08-6
Supplier:APIchem

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SMILES:[Sn](=O)(CCCCCCCC)CCCCCCCC	ChemMol.com
FORMULA: C16H34OSn
MASS: 361.1416
EXACT MASS: 362.1631597
INTERATOMIC DISTANCES

             Sn   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Sn   1    0.0000 
   O   2    1.0000     0.0000 
   C   3    2.6458     3.0000     0.0000 
   C   4    2.6458     3.0000     5.1962     0.0000 
   C   5    1.7321     2.0000     1.0000     4.3590     0.0000 
   C   6    1.7320     2.0000     4.3589     1.0001     3.4641     0.0000 
   C   7    3.4641     3.6055     1.0000     6.0828     1.7320     5.1961 
   C   8    3.4641     3.6055     6.0828     1.0000     5.1962     1.7321 
   C   9    1.0000     1.7320     1.7321     3.4641     1.0001     2.6457 
   C  10    1.0000     1.7320     3.4641     1.7321     2.6458     1.0000 
   C  11    4.3589     4.5826     1.7320     6.9282     2.6457     6.0827 
   C  12    4.3589     4.5826     6.9282     1.7320     6.0828     2.6458 
   C  13    5.1962     5.2915     2.6458     7.8103     3.4641     6.9282 
   C  14    5.1962     5.2915     7.8103     2.6458     6.9283     3.4642 
   C  15    6.0828     6.2450     8.6603     3.4641     7.8103     4.3590 
   C  16    6.0828     6.2450     3.4641     8.6603     4.3589     7.8102 
   C  17    6.9282     7.0000     4.3589     9.5394     5.1961     8.6602 
   C  18    6.9282     7.0000     9.5394     4.3589     8.6603     5.1962 
   H  19    2.4059     2.9561     4.8211     0.6201     4.0507     1.0813 
   H  20    3.1512     3.5889     5.6148     0.6200     4.8282     1.5968 
   H  21    3.1512     3.5889     0.6200     5.6148     1.5967     4.8281 
   H  22    2.4060     2.9562     0.6200     4.8212     1.0813     4.0507 
   H  23    3.1022     3.1102     1.0812     5.7470     1.4155     4.8210 
   H  24    3.8917     3.8981     1.5967     6.5338     2.1828     5.6147 
   H  25    3.8917     3.8981     6.5338     1.5967     5.6148     2.1829 
   H  26    3.1022     3.1102     5.7470     1.0812     4.8211     1.4156 
   H  27    1.4155     1.4332     1.5968     4.0507     0.6200     3.1021 
   H  28    2.1829     2.1944     1.0812     4.8282     0.6199     3.8917 
   H  29    2.1829     2.1944     4.8282     1.0812     3.8918     0.6200 
   H  30    1.4155     1.4332     4.0507     1.5968     3.1022     0.6199 
   H  31    1.5968     2.3452     1.4156     3.8918     1.0813     3.1512 
   H  32    1.0813     2.0296     2.1829     3.1022     1.5968     2.4059 
   H  33    1.0813     2.0296     3.1022     2.1829     2.4060     1.5967 
   H  34    1.5968     2.3452     3.8918     1.4156     3.1513     1.0812 
   H  35    4.8282     5.1246     2.1829     7.3422     3.1512     6.5339 
   H  36    4.0507     4.3998     1.4156     6.5470     2.4059     5.7469 
   H  37    4.0507     4.3998     6.5470     1.4156     5.7470     2.4060 
   H  38    4.8281     5.1245     7.3421     2.1828     6.5339     3.1512 
   H  39    5.6148     5.6193     8.2506     3.1512     7.3422     3.8918 
   H  40    4.8210     4.8263     7.4597     2.4059     6.5469     3.1022 
   H  41    4.8210     4.8263     2.4059     7.4597     3.1021     6.5468 
   H  42    5.6148     5.6193     3.1512     8.2506     3.8917     7.3421 
   H  43    6.5339     6.7558     3.8917     9.0712     4.8281     8.2505 
   H  44    5.7470     5.9982     3.1022     8.2754     4.0507     7.4597 
   H  45    5.7469     5.9981     8.2753     3.1021     7.4597     4.0507 
   H  46    6.5339     6.7558     9.0712     3.8917     8.2506     4.8282 
   H  47    6.6399     6.6344     4.1517     9.2744     4.9155     8.3674 
   H  48    7.4715     7.4969     4.9339    10.0957     5.7414     9.2023 
   H  49    7.2581     7.3996     4.6402     9.8364     5.5322     8.9863 
   H  50    7.2581     7.3996     9.8364     4.6402     8.9864     5.5323 
   H  51    7.4715     7.4969    10.0957     4.9339     9.2024     5.7415 
   H  52    6.6399     6.6344     9.2744     4.1517     8.3675     4.9156 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    6.9282     0.0000 
   C   9    2.6458     4.3589     0.0000 
   C  10    4.3589     2.6458     1.7320     0.0000 
   C  11    1.0000     7.8102     3.4641     5.1961     0.0000 
   C  12    7.8102     1.0000     5.1961     3.4641     8.6602     0.0000 
   C  13    1.7321     8.6603     4.3590     6.0828     1.0001     9.5394 
   C  14    8.6603     1.7321     6.0828     4.3590     9.5394     1.0001 
   C  15    9.5394     2.6458     6.9282     5.1962    10.3923     1.7321 
   C  16    2.6458     9.5394     5.1962     6.9282     1.7321    10.3923 
   C  17    3.4641    10.3923     6.0828     7.8102     2.6458    11.2694 
   C  18   10.3923     3.4641     7.8102     6.0828    11.2694     2.6458 
   H  19    5.7469     1.5968     3.1021     1.4156     6.5469     2.1829 
   H  20    6.5339     1.0813     3.8917     2.1829     7.3421     1.4156 
   H  21    1.0813     6.5339     2.1829     3.8917     1.4156     7.3421 
   H  22    1.5967     5.7470     1.4157     3.1022     2.1828     6.5470 
   H  23    0.6199     6.5469     2.4060     4.0507     1.5967     7.4597 
   H  24    0.6199     7.3421     3.1512     4.8281     1.0812     8.2505 
   H  25    7.3421     0.6199     4.8281     3.1512     8.2505     1.0812 
   H  26    6.5469     0.6199     4.0507     2.4060     7.4597     1.5967 
   H  27    2.1829     4.8210     1.0812     2.4059     3.1512     5.7469 
   H  28    1.4155     5.6148     1.5968     3.1512     2.4059     6.5338 
   H  29    5.6148     1.4155     3.1512     1.5968     6.5338     2.4059 
   H  30    4.8210     2.1829     2.4059     1.0812     5.7469     3.1512 
   H  31    2.4059     4.8282     0.6201     2.1829     3.1021     5.6148 
   H  32    3.1512     4.0507     0.6200     1.4156     3.8917     4.8211 
   H  33    4.0507     3.1512     1.4156     0.6200     4.8211     3.8917 
   H  34    4.8282     2.4059     2.1829     0.6201     5.6148     3.1021 
   H  35    1.5968     8.2506     3.8918     5.6148     0.6201     9.0712 
   H  36    1.0813     7.4597     3.1022     4.8211     0.6200     8.2753 
   H  37    7.4597     1.0813     4.8211     3.1022     8.2753     0.6200 
   H  38    8.2505     1.5967     5.6147     3.8917     9.0711     0.6200 
   H  39    9.0712     2.1829     6.5338     4.8282     9.9726     1.5968 
   H  40    8.2753     1.4155     5.7469     4.0507     9.1796     1.0812 
   H  41    1.4155     8.2753     4.0507     5.7469     1.0812     9.1796 
   H  42    2.1829     9.0712     4.8282     6.5338     1.5968     9.9726 
   H  43    3.1512     9.9726     5.6148     7.3421     2.1829    10.8012 
   H  44    2.4060     9.1797     4.8212     6.5470     1.4157    10.0051 
   H  45    9.1796     2.4059     6.5469     4.8211    10.0050     1.4156 
   H  46    9.9726     3.1512     7.3421     5.6148    10.8012     2.1829 
   H  47    3.1995    10.0966     5.8449     7.5557     2.5121    10.9973 
   H  48    4.0130    10.9336     6.6486     8.3704     3.2380    11.8230 
   H  49    3.8121    10.7158     6.3723     8.1043     2.9083    11.5684 
   H  50   10.7158     3.8121     8.1043     6.3723    11.5684     2.9083 
   H  51   10.9336     4.0130     8.3704     6.6486    11.8230     3.2380 
   H  52   10.0966     3.1995     7.5557     5.8449    10.9973     2.5121 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14   10.3924     0.0000 
   C  15   11.2695     1.0000     0.0000 
   C  16    1.0000    11.2695    12.1244     0.0000 
   C  17    1.7320    12.1244    13.0000     1.0000     0.0000 
   C  18   12.1244     1.7320     1.0000    13.0000    13.8564     0.0000 
   H  19    7.4597     3.1513     3.8918     8.2753     9.1796     4.8282 
   H  20    8.2506     2.4060     3.1022     9.0712     9.9726     4.0507 
   H  21    2.4060     8.2506     9.0712     3.1022     4.0507     9.9726 
   H  22    3.1512     7.4598     8.2754     3.8917     4.8281     9.1797 
   H  23    2.1829     8.2754     9.1797     3.1512     3.8917    10.0051 
   H  24    1.4156     9.0712     9.9726     2.4060     3.1022    10.8012 
   H  25    9.0712     1.4156     2.4060     9.9726    10.8012     3.1022 
   H  26    8.2754     2.1829     3.1512     9.1797    10.0051     3.8917 
   H  27    3.8918     6.5469     7.4597     4.8282     5.6148     8.2753 
   H  28    3.1022     7.3422     8.2506     4.0507     4.8210     9.0712 
   H  29    7.3422     3.1022     4.0507     8.2506     9.0712     4.8210 
   H  30    6.5469     3.8918     4.8282     7.4597     8.2753     5.6148 
   H  31    4.0507     6.5340     7.3422     4.8211     5.7469     8.2506 
   H  32    4.8282     5.7470     6.5470     5.6148     6.5339     7.4597 
   H  33    5.7470     4.8282     5.6148     6.5470     7.4597     6.5339 
   H  34    6.5340     4.0507     4.8211     7.3422     8.2506     5.7469 
   H  35    1.0813     9.9727    10.8013     1.4156     2.4059    11.6976 
   H  36    1.5968     9.1797    10.0051     2.1829     3.1512    10.9035 
   H  37    9.1797     1.5968     2.1829    10.0051    10.9035     3.1512 
   H  38    9.9726     1.0813     1.4157    10.8012    11.6975     2.4060 
   H  39   10.8013     0.6199     1.0812    11.6976    12.5319     1.4155 
   H  40   10.0051     0.6200     1.5968    10.9035    11.7354     2.1829 
   H  41    0.6200    10.0051    10.9035     1.5968     2.1829    11.7354 
   H  42    0.6199    10.8013    11.6976     1.0812     1.4155    12.5319 
   H  43    1.5967    11.6976    12.5319     0.6200     1.0813    13.4244 
   H  44    1.0813    10.9036    11.7355     0.6200     1.5967    12.6296 
   H  45   10.9035     1.0812     0.6201    11.7354    12.6295     1.5968 
   H  46   11.6976     1.5967     0.6200    12.5319    13.4244     1.0813 
   H  47    1.5200    11.8266    12.7227     1.1766     0.6200    13.5570 
   H  48    2.2900    12.6651    13.5515     1.6199     0.6200    14.3966 
   H  49    2.1114    12.4460    13.3005     1.1766     0.6200    14.1766 
   H  50   12.4460     2.1114     1.1766    13.3005    14.1766     0.6200 
   H  51   12.6651     2.2900     1.6199    13.5515    14.3966     0.6200 
   H  52   11.8266     1.5200     1.1766    12.7227    13.5570     0.6200 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    5.1961     5.9932     0.0000 
   H  22    4.3991     5.1962     0.7970     0.0000 
   H  23    5.4611     6.2332     1.4515     1.6888     0.0000 
   H  24    6.2331     7.0108     1.6888     2.2063     0.7970     0.0000 
   H  25    2.2064     1.6888     7.0108     6.2332     6.9282     7.7252 
   H  26    1.6889     1.4515     6.2332     5.4612     6.1312     6.9282 
   H  27    3.8189     4.5664     2.2064     1.6889     1.7321     2.5291 
   H  28    4.5664     5.3283     1.6888     1.4515     0.9350     1.7320 
   H  29    1.4515     1.6888     5.3283     4.5665     5.1962     5.9932 
   H  30    1.6888     2.2064     4.5664     3.8190     4.3991     5.1961 
   H  31    3.4641     4.2612     1.7320     0.9350     2.3121     2.9752 
   H  32    2.6670     3.4641     2.5291     1.7321     2.9753     3.6917 
   H  33    1.7320     2.5291     3.4641     2.6671     3.8190     4.5664 
   H  34    0.9349     1.7320     4.2612     3.4642     4.5665     5.3283 
   H  35    6.9282     7.7253     1.7321     2.5291     2.2064     1.6889 
   H  36    6.1311     6.9282     0.9350     1.7320     1.6888     1.4515 
   H  37    1.7321     0.9350     6.9282     6.1312     7.1458     7.9279 
   H  38    2.5291     1.7320     7.7252     6.9282     7.9279     8.7127 
   H  39    3.6918     2.9753     8.7128     7.9280     8.6603     9.4573 
   H  40    2.9753     2.3121     7.9279     7.1458     7.8632     8.6602 
   H  41    7.1457     7.9279     2.3121     2.9752     1.7320     0.9350 
   H  42    7.9279     8.7128     2.9753     3.6917     2.5291     1.7321 
   H  43    8.6602     9.4573     3.4641     4.2611     3.6917     2.9753 
   H  44    7.8632     8.6603     2.6671     3.4641     2.9753     2.3122 
   H  45    3.4641     2.6670     8.6602     7.8632     8.8488     9.6359 
   H  46    4.2612     3.4641     9.4573     8.6603     9.6360    10.4246 
   H  47    8.9464     9.7329     3.9245     4.6701     3.5531     2.7563 
   H  48    9.7497    10.5403     4.6496     5.4200     4.4026     3.6063 
   H  49    9.4479    10.2442     4.2642     5.0576     4.2935     3.5240 
   H  50    5.0577     4.2642    10.2442     9.4480    10.3534    11.1468 
   H  51    5.4201     4.6496    10.5403     9.7498    10.5320    11.3289 
   H  52    4.6702     3.9245     9.7329     8.9465     9.6840    10.4810 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.7970     0.0000 
   H  27    5.1961     4.3991     0.0000 
   H  28    5.9932     5.1962     0.7971     0.0000 
   H  29    1.7320     0.9350     3.4641     4.2612     0.0000 
   H  30    2.5291     1.7321     2.6670     3.4641     0.7971     0.0000 
   H  31    5.3283     4.5665     1.4515     1.6888     3.6918     2.9753 
   H  32    4.5664     3.8190     1.6888     2.2064     2.9753     2.3121 
   H  33    3.6917     2.9753     2.3121     2.9753     2.2064     1.6888 
   H  34    2.9752     2.3121     2.9753     3.6918     1.6888     1.4515 
   H  35    8.7128     7.9280     3.6918     2.9753     7.0109     6.2332 
   H  36    7.9279     7.1458     2.9753     2.3121     6.2332     5.4611 
   H  37    1.4515     1.6888     5.4611     6.2332     2.3121     2.9753 
   H  38    1.6888     2.2063     6.2331     7.0108     2.9752     3.6917 
   H  39    1.7321     2.5291     6.9282     7.7253     3.4641     4.2612 
   H  40    0.9350     1.7320     6.1311     6.9282     2.6670     3.4641 
   H  41    8.6602     7.8632     3.4641     2.6670     6.9282     6.1311 
   H  42    9.4573     8.6603     4.2612     3.4641     7.7253     6.9282 
   H  43   10.4246     9.6360     5.3283     4.5664     8.7128     7.9279 
   H  44    9.6360     8.8489     4.5665     3.8190     7.9280     7.1458 
   H  45    2.3121     2.9752     7.1457     7.9279     3.8189     4.5664 
   H  46    2.9753     3.6917     7.9279     8.7128     4.5664     5.3283 
   H  47   10.4810     9.6840     5.2851     4.4880     8.7490     7.9519 
   H  48   11.3289    10.5320     6.1338     5.3370     9.5971     8.8001 
   H  49   11.1468    10.3534     5.9908     5.2069     9.4233     8.6312 
   H  50    3.5240     4.2935     8.6312     9.4233     5.2069     5.9908 
   H  51    3.6063     4.4026     8.8001     9.5971     5.3370     6.1338 
   H  52    2.7563     3.5531     7.9519     8.7490     4.4880     5.2851 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.7971     0.0000 
   H  33    1.7321     0.9350     0.0000 
   H  34    2.5292     1.7321     0.7971     0.0000 
   H  35    3.4641     4.2612     5.1962     5.9933     0.0000 
   H  36    2.6670     3.4641     4.3991     5.1962     0.7971     0.0000 
   H  37    5.1962     4.3991     3.4641     2.6670     8.6603     7.8632 
   H  38    5.9932     5.1961     4.2611     3.4640     9.4573     8.6602 
   H  39    7.0109     6.2332     5.3283     4.5664    10.4247     9.6360 
   H  40    6.2332     5.4611     4.5664     3.8189     9.6360     8.8488 
   H  41    3.8189     4.5664     5.4611     6.2332     1.4515     1.6888 
   H  42    4.5664     5.3283     6.2332     7.0109     1.6888     2.2064 
   H  43    5.1961     5.9932     6.9282     7.7253     1.7320     2.5291 
   H  44    4.3991     5.1962     6.1312     6.9283     0.9350     1.7321 
   H  45    6.9282     6.1311     5.1961     4.3990    10.3923     9.5952 
   H  46    7.7253     6.9282     5.9932     5.1961    11.1894    10.3923 
   H  47    5.5630     6.3338     7.2452     8.0265     2.4199     3.0828 
   H  48    6.3323     7.1146     8.0360     8.8238     3.0231     3.7599 
   H  49    5.9896     6.7849     7.7181     8.5141     2.5475     3.3355 
   H  50    8.5141     7.7181     6.7849     5.9896    11.9749    11.1784 
   H  51    8.8238     8.0360     7.1146     6.3323    12.2613    11.4689 
   H  52    8.0265     7.2452     6.3338     5.5630    11.4472    10.6576 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.7970     0.0000 
   H  39    2.2064     1.6889     0.0000 
   H  40    1.6888     1.4515     0.7971     0.0000 
   H  41    8.8488     9.6359    10.3923     9.5952     0.0000 
   H  42    9.6360    10.4246    11.1894    10.3923     0.7971     0.0000 
   H  43   10.3923    11.1893    12.1423    11.3513     2.2064     1.6888 
   H  44    9.5953    10.3923    11.3514    10.5613     1.6889     1.4515 
   H  45    1.7320     0.9350     1.4515     1.6888    10.5612    11.3513 
   H  46    2.5291     1.7321     1.6888     2.2064    11.3513    12.1423 
   H  47   10.6576    11.4471    12.2131    11.4160     1.8217     1.0254 
   H  48   11.4689    12.2612    13.0608    12.2638     2.6726     1.8777 
   H  49   11.1784    11.9748    12.8727    12.0783     2.6420     1.9300 
   H  50    3.3355     2.5476     1.9300     2.6420    12.0783    12.8727 
   H  51    3.7599     3.0232     1.8777     2.6726    12.2638    13.0608 
   H  52    3.0828     2.4200     1.0254     1.8217    11.4160    12.2131 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.7970     0.0000 
   H  45   12.1243    11.3273     0.0000 
   H  46   12.9214    12.1244     0.7971     0.0000 
   H  47    1.5201     1.7880    12.3745    13.1660     0.0000 
   H  48    1.6310     2.2128    13.1914    13.9850     0.8768     0.0000 
   H  49    0.8924     1.6343    12.9092    13.7059     1.2399     0.8768 
   H  50   13.7059    12.9093     1.6344     0.8924    13.8979    14.7277 
   H  51   13.9850    13.1915     2.2128     1.6310    14.0851    14.9302 
   H  52   13.1660    12.3746     1.7880     1.5201    13.2364    14.0851 

              H  49      H  50      H  51      H  52
              --------------------------------------------
   H  49    0.0000 
   H  50   14.4764     0.0000 
   H  51   14.7277     0.8768     0.0000 
   H  52   13.8979     1.2399     0.8768     0.0000 



ATOMIC CHARGES
  Sn   1    0.0000000000
   O   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   H  19    0.0000000000
   H  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  23    0.0000000000
   H  24    0.0000000000
   H  25    0.0000000000
   H  26    0.0000000000
   H  27    0.0000000000
   H  28    0.0000000000
   H  29    0.0000000000
   H  30    0.0000000000
   H  31    0.0000000000
   H  32    0.0000000000
   H  33    0.0000000000
   H  34    0.0000000000
   H  35    0.0000000000
   H  36    0.0000000000
   H  37    0.0000000000
   H  38    0.0000000000
   H  39    0.0000000000
   H  40    0.0000000000
   H  41    0.0000000000
   H  42    0.0000000000
   H  43    0.0000000000
   H  44    0.0000000000
   H  45    0.0000000000
   H  46    0.0000000000
   H  47    0.0000000000
   H  48    0.0000000000
   H  49    0.0000000000
   H  50    0.0000000000
   H  51    0.0000000000
   H  52    0.0000000000


BOND ANGLES
   2    1    9   O2   Sn   C3    120.001
   2    1   10   O2   Sn   C3    120.001
   9    1   10   C3   Sn   C3    119.999
   5    3    7   C3   C3   C3    119.999
   5    3   21   C3   C3   HC    159.996
   5    3   22   C3   C3   HC     80.006
   7    3   21   C3   C3   HC     80.006
   7    3   22   C3   C3   HC    159.996
  21    3   22   HC   C3   HC     79.990
   6    4    8   C3   C3   C3    120.001
   6    4   19   C3   C3   HC     79.996
   6    4   20   C3   C3   HC    159.993
   8    4   19   C3   C3   HC    160.003
   8    4   20   C3   C3   HC     80.006
  19    4   20   HC   C3   HC     79.997
   3    5    9   C3   C3   C3    120.001
   3    5   27   C3   C3   HC    160.009
   3    5   28   C3   C3   HC     80.000
   9    5   27   C3   C3   HC     79.990
   9    5   28   C3   C3   HC    159.999
  27    5   28   HC   C3   HC     80.009
   4    6   10   C3   C3   C3    120.001
   4    6   29   C3   C3   HC     79.990
   4    6   30   C3   C3   HC    159.999
  10    6   29   C3   C3   HC    160.009
  10    6   30   C3   C3   HC     80.000
  29    6   30   HC   C3   HC     80.009
   3    7   11   C3   C3   C3    119.999
   3    7   23   C3   C3   HC     80.000
   3    7   24   C3   C3   HC    160.002
  11    7   23   C3   C3   HC    160.002
  11    7   24   C3   C3   HC     80.000
  23    7   24   HC   C3   HC     80.002
   4    8   12   C3   C3   C3    119.999
   4    8   25   C3   C3   HC    160.002
   4    8   26   C3   C3   HC     80.000
  12    8   25   C3   C3   HC     80.000
  12    8   26   C3   C3   HC    160.002
  25    8   26   HC   C3   HC     80.002
   1    9    5   Sn   C3   C3    120.001
   1    9   31   Sn   C3   HC    160.003
   1    9   32   Sn   C3   HC     80.006
   5    9   31   C3   C3   HC     79.996
   5    9   32   C3   C3   HC    159.993
  31    9   32   HC   C3   HC     79.997
   1   10    6   Sn   C3   C3    119.999
   1   10   33   Sn   C3   HC     80.006
   1   10   34   Sn   C3   HC    160.003
   6   10   33   C3   C3   HC    159.996
   6   10   34   C3   C3   HC     79.999
  33   10   34   HC   C3   HC     79.997
   7   11   13   C3   C3   C3    120.001
   7   11   35   C3   C3   HC    160.003
   7   11   36   C3   C3   HC     80.006
  13   11   35   C3   C3   HC     79.996
  13   11   36   C3   C3   HC    159.993
  35   11   36   HC   C3   HC     79.997
   8   12   14   C3   C3   C3    120.001
   8   12   37   C3   C3   HC     80.006
   8   12   38   C3   C3   HC    159.996
  14   12   37   C3   C3   HC    159.993
  14   12   38   C3   C3   HC     80.003
  37   12   38   HC   C3   HC     79.990
  11   13   16   C3   C3   C3    120.001
  11   13   41   C3   C3   HC     79.990
  11   13   42   C3   C3   HC    159.999
  16   13   41   C3   C3   HC    160.009
  16   13   42   C3   C3   HC     80.000
  41   13   42   HC   C3   HC     80.009
  12   14   15   C3   C3   C3    120.001
  12   14   39   C3   C3   HC    159.999
  12   14   40   C3   C3   HC     79.990
  15   14   39   C3   C3   HC     80.000
  15   14   40   C3   C3   HC    160.009
  39   14   40   HC   C3   HC     80.009
  14   15   18   C3   C3   C3    119.999
  14   15   45   C3   C3   HC     79.999
  14   15   46   C3   C3   HC    159.996
  18   15   45   C3   C3   HC    160.003
  18   15   46   C3   C3   HC     80.006
  45   15   46   HC   C3   HC     79.997
  13   16   17   C3   C3   C3    119.999
  13   16   43   C3   C3   HC    159.996
  13   16   44   C3   C3   HC     80.006
  17   16   43   C3   C3   HC     80.006
  17   16   44   C3   C3   HC    159.996
  43   16   44   HC   C3   HC     79.990
  16   17   47   C3   C3   HC     89.999
  16   17   48   C3   C3   HC    179.974
  16   17   49   C3   C3   HC     90.001
  47   17   48   HC   C3   HC     90.000
  47   17   49   HC   C3   HC    179.974
  48   17   49   HC   C3   HC     90.000
  15   18   50   C3   C3   HC     90.001
  15   18   51   C3   C3   HC    179.974
  15   18   52   C3   C3   HC     89.999
  50   18   51   HC   C3   HC     90.000
  50   18   52   HC   C3   HC    179.974
  51   18   52   HC   C3   HC     90.000


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