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lead; octadecanoate
lead; octadecanoate ID: AN-40193
CAS:56189-09-4
Supplier:AN PharmaTech Co Ltd

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SMILES:[Pb].[O-]C(=O)CCCCCCCCCCCCCCCCC	5362548
FORMULA: C18H35O2Pb-
MASS: 490.6693
EXACT MASS: 491.2403574
TOTAL CHARGE: -1
INTERATOMIC DISTANCES

             Pb   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Pb   1    0.0000 
   O   2    8.7771     0.0000 
   O   3    7.3829     1.7320     0.0000 
   C   4    4.0888     8.6602     7.9372     0.0000 
   C   5    3.5000     7.8102     7.0000     1.0000     0.0000 
   C   6    3.8970     9.5394     8.7178     1.0001     1.7321     0.0000 
   C   7    4.0966     6.9282     6.2450     1.7320     1.0000     2.6458 
   C   8    4.7597    10.3923     9.6437     1.7321     2.6458     1.0000 
   C   9    3.9133     6.0828     5.2915     2.6457     1.7320     3.4641 
   C  10    4.9114    11.2694    10.4403     2.6458     3.4641     1.7320 
   C  11    4.7798     5.1962     4.5826     3.4640     2.6457     4.3589 
   C  12    5.8814    12.1244    11.3579     3.4642     4.3590     2.6458 
   C  13    4.9375     4.3589     3.6055     4.3589     3.4641     5.1962 
   C  14    6.2497    13.0000    12.1656     4.3590     5.1962     3.4641 
   C  15    5.9085     3.4641     3.0000     5.1961     4.3589     6.0828 
   C  16    7.2475    13.8564    13.0767     5.1962     6.0828     4.3589 
   C  17    6.2803     2.6458     2.0000     6.0827     5.1961     6.9282 
   C  18    7.7456    14.7309    13.8924     6.0828     6.9282     5.1961 
   C  19    7.2784     1.7320     1.7320     6.9282     6.0828     7.8103 
   C  20    8.7443    15.5885    14.7987     6.9283     7.8103     6.0828 
   C  21    7.7786     1.0000     1.0000     7.8102     6.9282     8.6603 
   H  22    4.6453     9.0712     8.4275     0.6201     1.5968     1.0813 
   H  23    4.4975     8.2753     7.6549     0.6200     1.0813     1.5968 
   H  24    3.0536     7.4597     6.5508     1.5967     0.6200     2.1829 
   H  25    3.0488     8.2506     7.3456     1.0812     0.6201     1.4156 
   H  26    3.2985     9.1797     8.2785     1.0813     1.4157     0.6200 
   H  27    3.6894     9.9726     9.0740     1.5968     2.1829     0.6200 
   H  28    4.5013     7.3421     6.7558     1.4156     1.0813     2.4060 
   H  29    4.6553     6.5470     5.9982     2.1828     1.5967     3.1512 
   H  30    5.3754    10.8012    10.1194     2.1829     3.1512     1.5967 
   H  31    4.9782    10.0051     9.3390     1.4157     2.4060     1.0813 
   H  32    3.7107     5.7469     4.8262     3.1512     2.1829     3.8918 
   H  33    3.3134     6.5339     5.6193     2.4059     1.4156     3.1022 
   H  34    4.2937    10.9035    10.0076     2.4060     3.1022     1.4156 
   H  35    4.8917    11.6976    10.8037     3.1513     3.8918     2.1829 
   H  36    4.9945     5.6148     5.1246     3.1021     2.4059     4.0507 
   H  37    5.3960     4.8211     4.3998     3.8917     3.1512     4.8282 
   H  38    6.4970    12.5319    11.8230     3.8918     4.8282     3.1512 
   H  39    5.9446    11.7354    11.0379     3.1022     4.0507     2.4059 
   H  40    4.9207     4.0507     3.1102     4.8281     3.8917     5.6148 
   H  41    4.3200     4.8281     3.8981     4.0507     3.1022     4.8212 
   H  42    5.6561    12.6296    11.7376     4.0508     4.8212     3.1022 
   H  43    6.3439    13.4244    12.5339     4.8282     5.6148     3.8917 
   H  44    5.9690     3.8917     3.5889     4.8211     4.0507     5.7470 
   H  45    6.5238     3.1022     2.9562     5.6147     4.8281     6.5339 
   H  46    7.8440    14.2628    13.5338     5.6148     6.5339     4.8281 
   H  47    7.2037    13.4663    12.7458     4.8212     5.7470     4.0507 
   H  48    6.3763     2.4060     1.4332     6.5338     5.6147     7.3421 
   H  49    5.6873     3.1512     2.1943     5.7469     4.8211     6.5470 
   H  50    7.1796    14.3570    13.4681     5.7470     6.5470     4.8211 
   H  51    7.9096    15.1524    14.2647     6.5340     7.3422     5.6148 
   H  52    7.2327     2.1829     2.3452     6.5469     5.7469     7.4597 
   H  53    7.8744     1.4156     2.0296     7.3421     6.5339     8.2506 
   H  54    8.7962    15.9076    15.0633     7.2582     8.1044     6.3723 
   H  55    9.3636    16.1284    15.3664     7.4716     8.3705     6.6486 
   H  56    8.7362    15.2879    14.5557     6.6400     7.5558     5.8449 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.4641     0.0000 
   C   9    1.0000     4.3589     0.0000 
   C  10    4.3589     1.0000     5.1961     0.0000 
   C  11    1.7320     5.1961     1.0000     6.0827     0.0000 
   C  12    5.1962     1.7321     6.0828     1.0001     6.9282     0.0000 
   C  13    2.6458     6.0828     1.7321     6.9282     1.0001     7.8103 
   C  14    6.0828     2.6458     6.9282     1.7321     7.8102     1.0000 
   C  15    3.4641     6.9282     2.6458     7.8102     1.7321     8.6603 
   C  16    6.9282     3.4641     7.8102     2.6458     8.6602     1.7320 
   C  17    4.3589     7.8102     3.4641     8.6602     2.6458     9.5394 
   C  18    7.8102     4.3589     8.6602     3.4641     9.5393     2.6457 
   C  19    5.1962     8.6603     4.3590     9.5394     3.4642    10.3924 
   C  20    8.6603     5.1962     9.5394     4.3590    10.3923     3.4641 
   C  21    6.0828     9.5394     5.1962    10.3923     4.3590    11.2695 
   H  22    2.1829     1.4156     3.1512     2.4059     3.8917     3.1022 
   H  23    1.4156     2.1829     2.4059     3.1512     3.1021     3.8918 
   H  24    1.0813     3.1512     1.4156     3.8917     2.4059     4.8282 
   H  25    1.5968     2.4059     2.1829     3.1021     3.1512     4.0507 
   H  26    2.4060     1.5967     3.1022     2.1828     4.0507     3.1512 
   H  27    3.1512     1.0813     3.8917     1.4156     4.8281     2.4060 
   H  28    0.6200     3.1022     1.5967     4.0507     2.1828     4.8212 
   H  29    0.6200     3.8917     1.0813     4.8281     1.4156     5.6148 
   H  30    3.8917     0.6200     4.8281     1.0813     5.6147     1.4157 
   H  31    3.1022     0.6200     4.0507     1.5967     4.8211     2.1829 
   H  32    1.5968     4.8282     0.6201     5.6148     1.0812     6.5340 
   H  33    1.0813     4.0507     0.6200     4.8211     1.5967     5.7470 
   H  34    4.0507     1.0813     4.8211     0.6200     5.7469     1.5968 
   H  35    4.8282     1.5968     5.6148     0.6201     6.5339     1.0813 
   H  36    1.4156     4.8211     1.0813     5.7469     0.6200     6.5470 
   H  37    2.1829     5.6148     1.5968     6.5339     0.6201     7.3422 
   H  38    5.6148     2.1829     6.5339     1.5968     7.3421     0.6200 
   H  39    4.8211     1.4156     5.7469     1.0813     6.5469     0.6201 
   H  40    3.1512     6.5339     2.1829     7.3421     1.5968     8.2506 
   H  41    2.4060     5.7470     1.4157     6.5470     1.0813     7.4598 
   H  42    5.7470     2.4060     6.5470     1.4157     7.4597     1.0813 
   H  43    6.5339     3.1512     7.3421     2.1829     8.2505     1.5967 
   H  44    3.1022     6.5470     2.4060     7.4597     1.4157     8.2754 
   H  45    3.8917     7.3421     3.1512     8.2505     2.1829     9.0712 
   H  46    7.3421     3.8917     8.2505     3.1512     9.0711     2.1828 
   H  47    6.5470     3.1022     7.4597     2.4060     8.2753     1.4156 
   H  48    4.8281     8.2505     3.8917     9.0711     3.1512     9.9726 
   H  49    4.0507     7.4597     3.1022     8.2753     2.4060     9.1797 
   H  50    7.4597     4.0507     8.2753     3.1022     9.1796     2.4059 
   H  51    8.2506     4.8282     9.0712     3.8918     9.9726     3.1512 
   H  52    4.8211     8.2753     4.0507     9.1796     3.1022    10.0051 
   H  53    5.6148     9.0712     4.8282     9.9726     3.8918    10.8013 
   H  54    8.9864     5.5323     9.8364     4.6403    10.7158     3.8121 
   H  55    9.2024     5.7415    10.0957     4.9340    10.9336     4.0130 
   H  56    8.3675     4.9156     9.2744     4.1518    10.0966     3.1995 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    8.6603     0.0000 
   C  15    1.0000     9.5394     0.0000 
   C  16    9.5394     1.0000    10.3923     0.0000 
   C  17    1.7320    10.3923     1.0000    11.2694     0.0000 
   C  18   10.3923     1.7320    11.2694     1.0000    12.1243     0.0000 
   C  19    2.6458    11.2695     1.7321    12.1244     1.0001    13.0000 
   C  20   11.2695     2.6458    12.1244     1.7321    13.0000     1.0001 
   C  21    3.4641    12.1244     2.6458    13.0000     1.7321    13.8564 
   H  22    4.8282     4.0507     5.6148     4.8211     6.5339     5.7469 
   H  23    4.0507     4.8282     4.8211     5.6148     5.7469     6.5339 
   H  24    3.1022     5.6148     4.0507     6.5339     4.8211     7.3421 
   H  25    3.8918     4.8211     4.8282     5.7469     5.6148     6.5469 
   H  26    4.8212     3.8917     5.7470     4.8281     6.5470     5.6147 
   H  27    5.6148     3.1022     6.5339     4.0507     7.3421     4.8211 
   H  28    3.1512     5.7470     3.8917     6.5470     4.8281     7.4597 
   H  29    2.4060     6.5339     3.1022     7.3421     4.0507     8.2505 
   H  30    6.5339     2.4060     7.3421     3.1022     8.2505     4.0507 
   H  31    5.7470     3.1512     6.5470     3.8917     7.4597     4.8281 
   H  32    1.4156     7.3422     2.4059     8.2506     3.1021     9.0712 
   H  33    2.1829     6.5470     3.1512     7.4597     3.8917     8.2753 
   H  34    6.5470     2.1829     7.4597     3.1512     8.2753     3.8917 
   H  35    7.3422     1.4156     8.2506     2.4059     9.0712     3.1021 
   H  36    1.5968     7.4597     2.1829     8.2753     3.1512     9.1796 
   H  37    1.0813     8.2506     1.4156     9.0712     2.4059     9.9726 
   H  38    8.2506     1.0813     9.0712     1.4156     9.9726     2.4059 
   H  39    7.4597     1.5968     8.2753     2.1829     9.1796     3.1512 
   H  40    0.6200     9.0712     1.0813     9.9726     1.4156    10.8012 
   H  41    0.6200     8.2754     1.5967     9.1797     2.1828    10.0051 
   H  42    8.2754     0.6200     9.1797     1.5967    10.0051     2.1828 
   H  43    9.0712     0.6200     9.9726     1.0813    10.8012     1.4156 
   H  44    1.0813     9.1797     0.6200    10.0051     1.5967    10.9035 
   H  45    1.5967     9.9726     0.6200    10.8012     1.0813    11.6975 
   H  46    9.9726     1.5967    10.8012     0.6200    11.6975     1.0813 
   H  47    9.1797     1.0813    10.0051     0.6200    10.9035     1.5967 
   H  48    2.1828    10.8012     1.5967    11.6975     0.6200    12.5318 
   H  49    1.4156    10.0051     1.0813    10.9035     0.6200    11.7354 
   H  50   10.0051     1.4156    10.9035     1.0813    11.7354     0.6200 
   H  51   10.8013     2.1829    11.6976     1.5968    12.5319     0.6201 
   H  52    2.4059    10.9035     1.4156    11.7354     1.0813    12.6295 
   H  53    3.1512    11.6976     2.1829    12.5319     1.5968    13.4244 
   H  54   11.5685     2.9083    12.4460     2.1115    13.3005     1.1767 
   H  55   11.8231     3.2380    12.6651     2.2901    13.5515     1.6200 
   H  56   10.9974     2.5121    11.8266     1.5201    12.7227     1.1766 

              C  19      C  20      C  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20   13.8565     0.0000 
   C  21    1.0000    14.7310     0.0000 
   H  22    7.3422     6.5470     8.2506     0.0000 
   H  23    6.5470     7.3422     7.4597     0.7971     0.0000 
   H  24    5.7470     8.2506     6.5470     2.2064     1.6889     0.0000 
   H  25    6.5340     7.4597     7.3422     1.6889     1.4516     0.7971 
   H  26    7.4598     6.5339     8.2754     1.4516     1.6890     1.7321 
   H  27    8.2506     5.7470     9.0712     1.6889     2.2064     2.5291 
   H  28    5.6148     8.2754     6.5339     1.7321     0.9350     1.4516 
   H  29    4.8212     9.0712     5.7470     2.5291     1.7320     1.6889 
   H  30    9.0712     4.8212     9.9726     1.7320     2.5291     3.6918 
   H  31    8.2754     5.6148     9.1797     0.9350     1.7321     2.9753 
   H  32    4.0507     9.9727     4.8211     3.6919     2.9753     1.7321 
   H  33    4.8282     9.1797     5.6148     2.9753     2.3122     0.9350 
   H  34    9.1797     4.8282    10.0051     2.3122     2.9753     3.4641 
   H  35    9.9727     4.0507    10.8013     2.9753     3.6919     4.2612 
   H  36    3.8918    10.0051     4.8282     3.4641     2.6670     2.3122 
   H  37    3.1022    10.8013     4.0507     4.2612     3.4641     2.9753 
   H  38   10.8013     3.1022    11.6976     3.4641     4.2612     5.3283 
   H  39   10.0051     3.8918    10.9035     2.6670     3.4641     4.5664 
   H  40    2.4060    11.6976     3.1022     5.3283     4.5664     3.4641 
   H  41    3.1512    10.9036     3.8917     4.5665     3.8191     2.6671 
   H  42   10.9036     3.1512    11.7355     3.8191     4.5665     5.1962 
   H  43   11.6976     2.4060    12.5319     4.5664     5.3283     5.9932 
   H  44    2.1829    11.7355     3.1512     5.1962     4.3991     3.8191 
   H  45    1.4157    12.5319     2.4060     5.9932     5.1961     4.5664 
   H  46   12.5319     1.4157    13.4244     5.1961     5.9932     7.0108 
   H  47   11.7355     2.1829    12.6296     4.3991     5.1962     6.2332 
   H  48    1.0813    13.4244     1.4157     7.0108     6.2331     5.1961 
   H  49    1.5968    12.6296     2.1829     6.2332     5.4611     4.3991 
   H  50   12.6296     1.5968    13.4663     5.4611     6.2332     6.9282 
   H  51   13.4245     1.0813    14.2629     6.2332     7.0109     7.7253 
   H  52    0.6201    13.4663     1.5968     6.9282     6.1311     5.4611 
   H  53    0.6200    14.2629     1.0813     7.7253     6.9282     6.2332 
   H  54   14.1767     0.6200    15.0325     6.9141     7.7035     8.5141 
   H  55   14.3967     0.6200    15.2809     7.0685     7.8654     8.8238 
   H  56   13.5571     0.6200    14.4498     6.2200     7.0171     8.0265 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.9350     0.0000 
   H  27    1.7320     0.7970     0.0000 
   H  28    1.6890     2.3122     2.9753     0.0000 
   H  29    2.2064     2.9753     3.6918     0.7970     0.0000 
   H  30    2.9752     2.2064     1.6889     3.4641     4.2611     0.0000 
   H  31    2.3122     1.6889     1.4516     2.6671     3.4641     0.7970 
   H  32    2.5292     3.4642     4.2612     2.2064     1.6890     5.3283 
   H  33    1.7321     2.6671     3.4641     1.6889     1.4516     4.5664 
   H  34    2.6670     1.7320     0.9350     3.8191     4.5664     1.4516 
   H  35    3.4641     2.5291     1.7321     4.5665     5.3283     1.6890 
   H  36    2.9753     3.8191     4.5664     1.7320     0.9350     5.1961 
   H  37    3.6919     4.5665     5.3283     2.5291     1.7321     5.9932 
   H  38    4.5664     3.6918     2.9753     5.1962     5.9932     1.7321 
   H  39    3.8190     2.9752     2.3122     4.3991     5.1961     0.9350 
   H  40    4.2612     5.1962     5.9932     3.6918     2.9753     7.0108 
   H  41    3.4642     4.3992     5.1962     2.9753     2.3122     6.2332 
   H  42    4.3991     3.4641     2.6671     5.4612     6.2332     2.3122 
   H  43    5.1961     4.2611     3.4641     6.2332     7.0108     2.9753 
   H  44    4.5665     5.4612     6.2332     3.4641     2.6671     6.9282 
   H  45    5.3283     6.2332     7.0108     4.2611     3.4641     7.7252 
   H  46    6.2331     5.3282     4.5664     6.9282     7.7252     3.4641 
   H  47    5.4611     4.5664     3.8191     6.1312     6.9282     2.6671 
   H  48    5.9932     6.9282     7.7252     5.3282     4.5664     8.7127 
   H  49    5.1962     6.1312     6.9282     4.5664     3.8191     7.9279 
   H  50    6.1311     5.1961     4.3991     7.1459     7.9279     3.8191 
   H  51    6.9282     5.9932     5.1962     7.9280     8.7128     4.5665 
   H  52    6.2332     7.1459     7.9279     5.1961     4.3991     8.6602 
   H  53    7.0109     7.9280     8.7128     5.9932     5.1962     9.4573 
   H  54    7.7181     6.7849     5.9897     8.6313     9.4233     5.2070 
   H  55    8.0360     7.1146     6.3324     8.8002     9.5971     5.3372 
   H  56    7.2452     6.3338     5.5631     7.9520     8.7490     4.4881 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    4.5665     0.0000 
   H  33    3.8191     0.7971     0.0000 
   H  34    1.6889     5.1962     4.3991     0.0000 
   H  35    2.2064     5.9933     5.1962     0.7971     0.0000 
   H  36    4.3991     1.4516     1.6889     5.4611     6.2332     0.0000 
   H  37    5.1962     1.6889     2.2064     6.2332     7.0109     0.7971 
   H  38    2.5291     7.0109     6.2332     2.2064     1.6889     6.9282 
   H  39    1.7320     6.2332     5.4611     1.6889     1.4516     6.1311 
   H  40    6.2332     1.7320     2.5291     6.9282     7.7253     2.2064 
   H  41    5.4612     0.9350     1.7321     6.1312     6.9283     1.6890 
   H  42    2.9753     6.9283     6.1312     1.7321     0.9350     7.1459 
   H  43    3.6918     7.7253     6.9282     2.5291     1.7320     7.9279 
   H  44    6.1312     2.3122     2.9753     7.1459     7.9280     1.7321 
   H  45    6.9282     2.9752     3.6918     7.9279     8.7128     2.5291 
   H  46    4.2611     8.7128     7.9279     3.6918     2.9752     8.6602 
   H  47    3.4641     7.9280     7.1459     2.9753     2.3122     7.8632 
   H  48    7.9279     3.4640     4.2611     8.6602     9.4573     3.6918 
   H  49    7.1459     2.6670     3.4641     7.8632     8.6603     2.9753 
   H  50    4.5664     8.6603     7.8632     3.4641     2.6670     8.8488 
   H  51    5.3283     9.4574     8.6603     4.2612     3.4641     9.6360 
   H  52    7.8632     3.8190     4.5664     8.8488     9.6360     3.4641 
   H  53    8.6603     4.5664     5.3283     9.6360    10.4247     4.2612 
   H  54    5.9908    10.2443     9.4480     5.0577     4.2642    10.3534 
   H  55    6.1338    10.5404     9.7498     5.4201     4.6496    10.5320 
   H  56    5.2851     9.7330     8.9465     4.6702     3.9245     9.6840 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    7.7253     0.0000 
   H  39    6.9282     0.7971     0.0000 
   H  40    1.6889     8.7128     7.9279     0.0000 
   H  41    1.4516     7.9280     7.1459     0.7970     0.0000 
   H  42    7.9280     1.4516     1.6890     8.6603     7.8633     0.0000 
   H  43    8.7128     1.6889     2.2064     9.4573     8.6603     0.7970 
   H  44    0.9350     8.6603     7.8632     1.4516     1.6889     8.8489 
   H  45    1.7320     9.4573     8.6602     1.6889     2.2064     9.6360 
   H  46    9.4573     1.7320     2.5291    10.4246     9.6360     2.2064 
   H  47    8.6603     0.9350     1.7321     9.6360     8.8489     1.6889 
   H  48    2.9752    10.4246     9.6359     1.7320     2.5290    10.3923 
   H  49    2.3122     9.6360     8.8488     0.9350     1.7320     9.5953 
   H  50    9.6360     2.3122     2.9753    10.3923     9.5953     1.7320 
   H  51   10.4247     2.9753     3.6919    11.1894    10.3924     2.5291 
   H  52    2.6670    10.3923     9.5952     2.3122     2.9752    10.5613 
   H  53    3.4641    11.1894    10.3923     2.9753     3.6918    11.3514 
   H  54   11.1469     3.5240     4.2936    11.9749    11.1785     3.3355 
   H  55   11.3290     3.6063     4.4027    12.2613    11.4690     3.7599 
   H  56   10.4811     2.7563     3.5532    11.4472    10.6577     3.0828 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    9.6360     0.0000 
   H  45   10.4246     0.7970     0.0000 
   H  46    1.6889    10.3923    11.1893     0.0000 
   H  47    1.4516     9.5953    10.3923     0.7970     0.0000 
   H  48   11.1893     2.2064     1.6889    12.1422    11.3513     0.0000 
   H  49   10.3923     1.6889     1.4516    11.3513    10.5613     0.7970 
   H  50    0.9350    10.5613    11.3513     1.4516     1.6889    12.1243 
   H  51    1.7321    11.3514    12.1423     1.6890     2.2064    12.9214 
   H  52   11.3513     1.7320     0.9350    12.1243    11.3273     1.4516 
   H  53   12.1423     2.5291     1.7321    12.9214    12.1244     1.6890 
   H  54    2.5476    12.0784    12.8727     1.9301     2.6421    13.7059 
   H  55    3.0232    12.2639    13.0608     1.8778     2.6726    13.9850 
   H  56    2.4200    11.4161    12.2131     1.0255     1.8217    13.1660 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50   11.3273     0.0000 
   H  51   12.1244     0.7971     0.0000 
   H  52    1.6889    12.2792    13.0711     0.0000 
   H  53    2.2064    13.0711    13.8635     0.7971     0.0000 
   H  54   12.9093     1.6344     0.8924    13.8050    14.6001     0.0000 
   H  55   13.1915     2.2128     1.6310    13.9958    14.7928     0.8768 
   H  56   12.3746     1.7880     1.5201    13.1480    13.9451     1.2399 

              H  55      H  56
              ----------------------
   H  55    0.0000 
   H  56    0.8768     0.0000 



ATOMIC CHARGES
  Pb   1    0.0000000000
   O   2   -0.5000000000
   O   3   -0.5000000000
   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
   C  19    0.0000000000
   C  20    0.0000000000
   C  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
   H  53    0.0000000000
   H  54    0.0000000000
   H  55    0.0000000000
   H  56    0.0000000000


BOND ANGLES
   5    4    6   C3   C3   C3    120.001
   5    4   22   C3   C3   HC    160.003
   5    4   23   C3   C3   HC     80.006
   6    4   22   C3   C3   HC     79.996
   6    4   23   C3   C3   HC    159.993
  22    4   23   HC   C3   HC     79.997
   4    5    7   C3   C3   C3    119.999
   4    5   24   C3   C3   HC    159.996
   4    5   25   C3   C3   HC     79.999
   7    5   24   C3   C3   HC     80.006
   7    5   25   C3   C3   HC    160.003
  24    5   25   HC   C3   HC     79.997
   4    6    8   C3   C3   C3    120.001
   4    6   26   C3   C3   HC     80.003
   4    6   27   C3   C3   HC    159.993
   8    6   26   C3   C3   HC    159.996
   8    6   27   C3   C3   HC     80.006
  26    6   27   HC   C3   HC     79.990
   5    7    9   C3   C3   C3    119.999
   5    7   28   C3   C3   HC     80.006
   5    7   29   C3   C3   HC    159.996
   9    7   28   C3   C3   HC    159.996
   9    7   29   C3   C3   HC     80.006
  28    7   29   HC   C3   HC     79.990
   6    8   10   C3   C3   C3    119.999
   6    8   30   C3   C3   HC    159.996
   6    8   31   C3   C3   HC     80.006
  10    8   30   C3   C3   HC     80.006
  10    8   31   C3   C3   HC    159.996
  30    8   31   HC   C3   HC     79.990
   7    9   11   C3   C3   C3    119.999
   7    9   32   C3   C3   HC    160.003
   7    9   33   C3   C3   HC     80.006
  11    9   32   C3   C3   HC     79.999
  11    9   33   C3   C3   HC    159.996
  32    9   33   HC   C3   HC     79.997
   8   10   12   C3   C3   C3    120.001
   8   10   34   C3   C3   HC     80.006
   8   10   35   C3   C3   HC    160.003
  12   10   34   C3   C3   HC    159.993
  12   10   35   C3   C3   HC     79.996
  34   10   35   HC   C3   HC     79.997
   9   11   13   C3   C3   C3    120.001
   9   11   36   C3   C3   HC     80.006
   9   11   37   C3   C3   HC    160.003
  13   11   36   C3   C3   HC    159.993
  13   11   37   C3   C3   HC     79.996
  36   11   37   HC   C3   HC     79.997
  10   12   14   C3   C3   C3    120.001
  10   12   38   C3   C3   HC    159.993
  10   12   39   C3   C3   HC     79.996
  14   12   38   C3   C3   HC     80.006
  14   12   39   C3   C3   HC    160.003
  38   12   39   HC   C3   HC     79.997
  11   13   15   C3   C3   C3    120.001
  11   13   40   C3   C3   HC    159.993
  11   13   41   C3   C3   HC     80.003
  15   13   40   C3   C3   HC     80.006
  15   13   41   C3   C3   HC    159.996
  40   13   41   HC   C3   HC     79.990
  12   14   16   C3   C3   C3    119.999
  12   14   42   C3   C3   HC     80.006
  12   14   43   C3   C3   HC    159.996
  16   14   42   C3   C3   HC    159.996
  16   14   43   C3   C3   HC     80.006
  42   14   43   HC   C3   HC     79.990
  13   15   17   C3   C3   C3    119.999
  13   15   44   C3   C3   HC     80.006
  13   15   45   C3   C3   HC    159.996
  17   15   44   C3   C3   HC    159.996
  17   15   45   C3   C3   HC     80.006
  44   15   45   HC   C3   HC     79.990
  14   16   18   C3   C3   C3    119.999
  14   16   46   C3   C3   HC    159.996
  14   16   47   C3   C3   HC     80.006
  18   16   46   C3   C3   HC     80.006
  18   16   47   C3   C3   HC    159.996
  46   16   47   HC   C3   HC     79.990
  15   17   19   C3   C3   C3    120.001
  15   17   48   C3   C3   HC    159.996
  15   17   49   C3   C3   HC     80.006
  19   17   48   C3   C3   HC     80.003
  19   17   49   C3   C3   HC    159.993
  48   17   49   HC   C3   HC     79.990
  16   18   20   C3   C3   C3    120.001
  16   18   50   C3   C3   HC     80.006
  16   18   51   C3   C3   HC    160.003
  20   18   50   C3   C3   HC    159.993
  20   18   51   C3   C3   HC     79.996
  50   18   51   HC   C3   HC     79.997
  17   19   21   C3   C3  Cac    120.001
  17   19   52   C3   C3   HC     79.996
  17   19   53   C3   C3   HC    159.993
  21   19   52  Cac   C3   HC    160.003
  21   19   53  Cac   C3   HC     80.006
  52   19   53   HC   C3   HC     79.997
  18   20   54   C3   C3   HC     90.004
  18   20   55   C3   C3   HC    179.974
  18   20   56   C3   C3   HC     89.996
  54   20   55   HC   C3   HC     90.000
  54   20   56   HC   C3   HC    179.974
  55   20   56   HC   C3   HC     90.000
   2   21    3 O.co2  Cac O.co2    120.001
   2   21   19 O.co2  Cac   C3    119.999
   3   21   19 O.co2  Cac   C3    120.001


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