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1-dioctylphosphoryloctane
1-dioctylphosphoryloctane ID: AN-23952
CAS:78-50-2
Supplier:AN PharmaTech Co Ltd

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SMILES:P(=O)(CCCCCCCC)(CCCCCCCC)CCCCCCCC	65577
FORMULA: C24H51OP
MASS: 386.6349
EXACT MASS: 386.3677529
INTERATOMIC DISTANCES

              P   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   O   2    1.0000     0.0000 
   C   3    1.0000     1.4142     0.0000 
   C   4    1.0000     1.4142     2.0000     0.0000 
   C   5    1.0000     2.0000     1.4142     1.4142     0.0000 
   C   6    1.7321     1.5060     1.0001     2.6458     2.3942     0.0000 
   C   7    1.7320     2.3941     2.6457     1.0000     1.5059     3.4641 
   C   8    1.7321     2.6458     1.5060     2.3942     1.0001     2.4496 
   C   9    2.6458     2.5036     1.7321     3.6055     3.1196     1.0000 
   C  10    2.6458     3.1196     3.6055     1.7321     2.5036     4.3590 
   C  11    2.6458     3.6055     2.5036     3.1196     1.7321     3.4253 
   C  12    3.4641     3.0880     2.6458     4.3589     4.0576     1.7320 
   C  13    3.4641     4.0576     4.3589     2.6458     3.0880     5.1962 
   C  14    3.4641     4.3589     3.0880     4.0576     2.6458     3.8730 
   C  15    4.3589     4.0664     3.4641     5.2915     4.8439     2.6457 
   C  16    4.3589     4.8439     5.2915     3.4641     4.0664     6.0828 
   C  17    4.3589     5.2915     4.0664     4.8439     3.4641     4.8716 
   C  18    5.1962     4.7754     4.3590     6.0828     5.7617     3.4641 
   C  19    5.1962     5.7617     6.0828     4.3590     4.7754     6.9283 
   C  20    5.1962     6.0828     4.7754     5.7617     4.3590     5.4773 
   C  21    6.0828     5.7275     5.1962     7.0000     6.5724     4.3589 
   C  22    6.0828     6.5724     7.0000     5.1962     5.7275     7.8103 
   C  23    6.0828     7.0000     5.7275     6.5724     5.1962     6.4601 
   C  24    6.9282     6.4863     6.0828     7.8102     7.4785     5.1961 
   C  25    6.9282     7.4785     7.8102     6.0828     6.4863     8.6603 
   C  26    6.9282     7.8102     6.4863     7.4785     6.0828     7.1414 
   H  27    1.5968     2.5913     1.9934     1.7680     0.6200     2.9878 
   H  28    1.0812     1.9884     1.8412     0.9736     0.6199     2.7471 
   H  29    1.5968     1.7680     2.5913     0.6200     1.9934     3.1513 
   H  30    1.0812     0.9736     1.9884     0.6199     1.8412     2.4060 
   H  31    1.5968     1.9935     0.6201     2.5913     1.7680     1.0813 
   H  32    1.0813     1.8413     0.6200     1.9884     0.9736     1.5968 
   H  33    1.4155     0.9207     1.0812     2.1996     2.2715     0.6200 
   H  34    2.1829     1.6768     1.5968     2.9967     2.9526     0.6199 
   H  35    1.4156     2.2716     2.1996     1.0813     0.9207     3.1022 
   H  36    2.1829     2.9527     2.9967     1.5968     1.6768     3.8918 
   H  37    1.4156     2.1996     0.9207     2.2716     1.0813     1.8326 
   H  38    2.1829     2.9967     1.6768     2.9527     1.5968     2.4738 
   H  39    3.1512     3.1020     2.1829     4.1346     3.4983     1.5967 
   H  40    2.4060     2.5056     1.4157     3.4020     2.7018     1.0813 
   H  41    3.1512     3.4983     4.1346     2.1829     3.1019     4.8282 
   H  42    2.4059     2.7017     3.4019     1.4155     2.5054     4.0507 
   H  43    3.1512     4.1346     3.1019     3.4983     2.1829     4.0382 
   H  44    2.4060     3.4019     2.5055     2.7018     1.4156     3.4880 
   H  45    3.1022     2.5952     2.4060     3.9317     3.8094     1.4155 
   H  46    3.8917     3.3853     3.1512     4.7287     4.5640     2.1828 
   H  47    3.1022     3.8094     3.9317     2.4060     2.5952     4.8212 
   H  48    3.8917     4.5641     4.7287     3.1512     3.3853     5.6148 
   H  49    3.1022     3.9317     2.5952     3.8094     2.4060     3.3133 
   H  50    3.8917     4.7287     3.3853     4.5641     3.1512     4.0620 
   H  51    4.8282     5.7858     4.6120     5.2298     3.8918     5.4487 
   H  52    4.0507     5.0192     3.8942     4.4329     3.1022     4.7734 
   H  53    4.8281     5.2297     5.7857     3.8917     4.6119     6.5338 
   H  54    4.0507     4.4329     5.0192     3.1022     3.8942     5.7470 
   H  55    4.8282     4.6121     3.8918     5.7859     5.2298     3.1512 
   H  56    4.0507     3.8942     3.1022     5.0192     4.4329     2.4059 
   H  57    4.8211     5.6637     4.3154     5.4647     4.0507     4.9596 
   H  58    5.6148     6.4607     5.1097     6.2405     4.8282     5.7342 
   H  59    4.8211     5.4647     5.6637     4.0507     4.3154     6.5470 
   H  60    5.6148     6.2405     6.4607     4.8282     5.1097     7.3422 
   H  61    4.8210     4.3154     4.0507     5.6637     5.4647     3.1021 
   H  62    5.6148     5.1097     4.8282     6.4607     6.2405     3.8917 
   H  63    6.5338     7.4737     6.2385     6.9616     5.6148     7.0049 
   H  64    5.7470     6.6942     5.4820     6.1647     4.8211     6.2774 
   H  65    6.5338     6.9616     7.4737     5.6148     6.2385     8.2506 
   H  66    5.7469     6.1646     6.6941     4.8210     5.4819     7.4597 
   H  67    6.5339     6.2385     5.6148     7.4737     6.9616     4.8281 
   H  68    5.7470     5.4821     4.8212     6.6942     6.1647     4.0507 
   H  69    6.6399     7.4843     6.1270     7.2551     5.8449     6.7253 
   H  70    7.4715     8.3333     6.9873     8.0514     6.6486     7.5993 
   H  71    7.2581     8.1703     6.8827     7.7452     6.3723     7.5855 
   H  72    6.6399     7.2551     7.4843     5.8449     6.1270     8.3675 
   H  73    7.4715     8.0514     8.3333     6.6486     6.9873     9.2024 
   H  74    7.2581     7.7452     8.1703     6.3723     6.8827     8.9864 
   H  75    6.6399     6.1270     5.8449     7.4843     7.2551     4.9155 
   H  76    7.4715     6.9873     6.6486     8.3333     8.0514     5.7414 
   H  77    7.2581     6.8827     6.3723     8.1703     7.7452     5.5322 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.4495     0.0000 
   C   9    4.3589     2.8754     0.0000 
   C  10    1.0001     3.4253     5.2915     0.0000 
   C  11    2.8754     1.0000     3.7417     3.7417     0.0000 
   C  12    5.1961     3.8730     1.0000     6.0828     4.7396     0.0000 
   C  13    1.7321     3.8730     6.0828     1.0000     3.9416     6.9282 
   C  14    3.8730     1.7320     3.9416     4.7396     1.0000     4.8990 
   C  15    6.0827     4.5020     1.7320     7.0000     5.2661     1.0000 
   C  16    2.6458     4.8716     7.0000     1.7320     4.9262     7.8102 
   C  17    4.5020     2.6457     4.9262     5.2661     1.7320     5.8706 
   C  18    6.9282     5.4773     2.6458     7.8103     6.2607     1.7321 
   C  19    3.4642     5.4773     7.8103     2.6458     5.3670     8.6603 
   C  20    5.4773     3.4641     5.3670     6.2607     2.6458     6.2450 
   C  21    7.8102     6.1861     3.4641     8.7178     6.8894     2.6458 
   C  22    4.3590     6.4601     8.7178     3.4641     6.3668     9.5394 
   C  23    6.1861     4.3589     6.3668     6.8894     3.4641     7.2432 
   C  24    8.6602     7.1414     4.3589     9.5394     7.8695     3.4641 
   C  25    5.1962     7.1414     9.5394     4.3589     6.9334    10.3923 
   C  26    7.1414     5.1961     6.9334     7.8695     4.3589     7.7460 
   H  27    1.4739     1.0812     3.6539     2.3976     1.4155     4.6156 
   H  28    0.8898     1.5968     3.5731     1.8897     2.1829     4.4635 
   H  29    1.0812     2.9878     4.1347     1.4155     3.6539     4.8282 
   H  30    1.5967     2.7471     3.4019     2.1829     3.5731     4.0507 
   H  31    3.1512     1.4739     1.4156     4.1347     2.3976     2.4059 
   H  32    2.4059     0.8898     2.1829     3.4020     1.8896     3.1512 
   H  33    3.1021     2.5786     1.5968     3.9317     3.5784     2.1829 
   H  34    3.8917     3.0676     1.0812     4.7288     4.0452     1.4155 
   H  35    0.6200     1.8326     3.9317     1.5968     2.2808     4.8211 
   H  36    0.6201     2.4738     4.7288     1.0813     2.6770     5.6148 
   H  37    2.5786     0.6201     2.2808     3.5785     1.5968     3.2731 
   H  38    3.0676     0.6200     2.6770     4.0452     1.0813     3.6707 
   H  39    4.8281     3.0908     0.6200     5.7859     3.8550     1.0813 
   H  40    4.0507     2.3263     0.6200     5.0193     3.1500     1.5967 
   H  41    1.5968     4.0382     5.7858     0.6199     4.3588     6.5338 
   H  42    1.0812     3.4879     5.0192     0.6200     3.9566     5.7469 
   H  43    3.0908     1.5967     4.3588     3.8550     0.6199     5.3558 
   H  44    2.3263     1.0812     3.9566     3.1500     0.6199     4.9541 
   H  45    4.8210     3.7774     1.0812     5.6638     4.7071     0.6199 
   H  46    5.6147     4.4487     1.5967     6.4607     5.3363     0.6199 
   H  47    1.4157     3.3133     5.6638     1.0813     3.3301     6.5470 
   H  48    2.1829     4.0620     6.4607     1.5967     3.9768     7.3421 
   H  49    3.7774     1.4156     3.3301     4.7072     1.0813     4.2817 
   H  50    4.4487     2.1828     3.9768     5.3363     1.5967     4.8841 
   H  51    4.7889     3.1512     5.5361     5.4749     2.1829     6.4858 
   H  52    4.0038     2.4059     4.9540     4.7195     1.4155     5.9298 
   H  53    3.1512     5.4486     7.4737     2.1828     5.5360     8.2505 
   H  54    2.4060     4.7734     6.6942     1.4155     4.9540     7.4597 
   H  55    6.5339     4.7889     2.1829     7.4738     5.4748     1.5968 
   H  56    5.7469     4.0038     1.4156     6.6942     4.7195     1.0813 
   H  57    5.2809     3.1021     4.7934     6.1244     2.4059     5.6526 
   H  58    6.0143     3.8917     5.5194     6.8256     3.1512     6.3431 
   H  59    3.1022     4.9596     7.3957     2.4059     4.7934     8.2753 
   H  60    3.8918     5.7342     8.1928     3.1512     5.5194     9.0712 
   H  61    6.5468     5.2809     2.4059     7.3957     6.1244     1.4155 
   H  62    7.3421     6.0143     3.1512     8.1928     6.8256     2.1829 
   H  63    6.5049     4.8281     6.9496     7.1475     3.8917     7.8387 
   H  64    5.7141     4.0507     6.2793     6.3739     3.1022     7.1960 
   H  65    4.8282     7.0049     9.1781     3.8917     6.9496     9.9726 
   H  66    4.0507     6.2773     8.3923     3.1021     6.2793     9.1796 
   H  67    8.2505     6.5049     3.8917     9.1781     7.1474     3.1512 
   H  68    7.4597     5.7141     3.1022     8.3924     6.3738     2.4060 
   H  69    6.9963     4.9155     6.4561     7.7780     4.1517     7.2366 
   H  70    7.7393     5.7414     7.3313     8.4794     4.9339     8.1041 
   H  71    7.3362     5.5322     7.4318     8.0080     4.6402     8.2704 
   H  72    4.9156     6.7253     9.2164     4.1517     6.4561    10.0966 
   H  73    5.7415     7.5993    10.0650     4.9339     7.3313    10.9336 
   H  74    5.5323     7.5855     9.8908     4.6402     7.4318    10.7158 
   H  75    8.3674     6.9964     4.1517     9.2164     7.7780     3.1995 
   H  76    9.2023     7.7394     4.9339    10.0650     8.4794     4.0130 
   H  77    8.9863     7.3362     4.6402     9.8908     8.0080     3.8121 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.8990     0.0000 
   C  15    7.8102     5.2474     0.0000 
   C  16    1.0000     5.8706     8.7177     0.0000 
   C  17    5.2474     1.0000     6.1644     6.1644     0.0000 
   C  18    8.6603     6.2450     1.0001     9.5394     7.1552     0.0000 
   C  19    1.7321     6.2450     9.5394     1.0001     6.3878    10.3924 
   C  20    6.2450     1.7321     6.3878     7.1552     1.0001     7.3485 
   C  21    9.5394     6.7480     1.7321    10.4403     7.5982     1.0000 
   C  22    2.6458     7.2432    10.4403     1.7321     7.3667    11.2695 
   C  23    6.7480     2.6458     7.3667     7.5982     1.7321     8.3185 
   C  24   10.3923     7.7460     2.6458    11.2694     8.5981     1.7320 
   C  25    3.4641     7.7460    11.2694     2.6458     7.7506    12.1244 
   C  26    7.7460     3.4641     7.7506     8.5981     2.6458     8.6603 
   H  27    2.7920     2.4059     5.3598     3.7909     3.1021     6.2993 
   H  28    2.5327     3.1512     5.3051     3.4919     3.8917     6.1888 
   H  29    2.4059     4.6156     5.7858     3.1021     5.3598     6.5339 
   H  30    3.1512     4.4635     5.0192     3.8917     5.3051     5.7470 
   H  31    4.8282     2.7919     3.1021     5.7859     3.7908     4.0507 
   H  32    4.0507     2.5326     3.8917     5.0192     3.4918     4.8282 
   H  33    4.8210     4.1586     3.1512     5.6637     5.1429     3.8918 
   H  34    5.6148     4.4783     2.4059     6.4607     5.4780     3.1022 
   H  35    2.1829     3.2731     5.6637     3.1512     3.9442     6.5470 
   H  36    1.4156     3.6707     6.4607     2.4059     4.1858     7.3422 
   H  37    4.1587     2.1829     3.9442     5.1430     3.1512     4.9059 
   H  38    4.4784     1.4156     4.1858     5.4781     2.4059     5.1797 
   H  39    6.5339     3.8955     1.4156     7.4737     4.8459     2.4060 
   H  40    5.7470     3.3217     2.1828     6.6942     4.3063     3.1512 
   H  41    1.0812     5.3558     7.4737     1.4155     5.8631     8.2506 
   H  42    1.5968     4.9540     6.6941     2.1829     5.5706     7.4597 
   H  43    3.8956     1.0812     5.8631     4.8460     1.4155     6.8602 
   H  44    3.3218     1.5967     5.5706     4.3064     2.1828     6.5514 
   H  45    6.5469     4.9914     1.5967     7.3957     5.9834     2.1829 
   H  46    7.3421     5.5168     1.0812     8.1927     6.4900     1.4156 
   H  47    0.6200     4.2817     7.3957     1.5967     4.6308     8.2754 
   H  48    0.6200     4.8841     8.1927     1.0813     5.1156     9.0712 
   H  49    4.9914     0.6200     4.6308     5.9835     1.5967     5.6292 
   H  50    5.5169     0.6200     5.1156     6.4901     1.0813     6.1000 
   H  51    5.3438     1.5968     6.7842     6.2126     0.6200     7.7745 
   H  52    4.6533     1.0812     6.3181     5.5585     0.6199     7.3171 
   H  53    1.5967     6.4857     9.1780     0.6199     6.7841     9.9726 
   H  54    1.0812     5.9298     8.3923     0.6199     6.3181     9.1797 
   H  55    8.2506     5.3438     0.6201     9.1781     6.2126     1.0813 
   H  56    7.4597     4.6533     0.6200     8.3923     5.5584     1.5968 
   H  57    6.2075     1.4156     5.7733     7.1522     1.0813     6.7310 
   H  58    6.8423     2.1829     6.3889     7.7611     1.5968     7.3205 
   H  59    1.4156     5.6526     9.1277     1.0813     5.7733    10.0051 
   H  60    2.1829     6.3431     9.9248     1.5968     6.3889    10.8013 
   H  61    8.2753     6.2075     1.0812     9.1277     7.1521     0.6200 
   H  62    9.0712     6.8423     1.5968     9.9248     7.7610     0.6199 
   H  63    6.9236     3.1512     7.9795     7.7271     2.1829     8.9344 
   H  64    6.1866     2.4060     7.4032     7.0177     1.4156     8.3762 
   H  65    3.1512     7.8387    10.8911     2.1829     7.9795    11.6976 
   H  66    2.4059     7.1959    10.1019     1.4155     7.4031    10.9035 
   H  67    9.9726     6.9236     2.1829    10.8911     7.7271     1.5967 
   H  68    9.1797     6.1865     1.4157    10.1021     7.0177     1.0813 
   H  69    7.7336     3.1995     7.1987     8.6230     2.5121     8.0938 
   H  70    8.3649     4.0130     8.0420     9.2181     3.2380     8.9220 
   H  71    7.8077     3.8121     8.3121     8.6179     2.9083     9.2336 
   H  72    3.1995     7.2366    10.9484     2.5121     7.1987    11.8266 
   H  73    4.0130     8.1041    11.7967     3.2380     8.0420    12.6651 
   H  74    3.8121     8.2704    11.6147     2.9083     8.3121    12.4460 
   H  75   10.0966     7.7336     2.5121    10.9484     8.6230     1.5200 
   H  76   10.9336     8.3649     3.2380    11.7967     9.2181     2.2900 
   H  77   10.7158     7.8077     2.9083    11.6147     8.6179     2.1114 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    7.3485     0.0000 
   C  21   11.2695     7.6684     0.0000 
   C  22    1.0000     8.3185    12.1656     0.0000 
   C  23    7.6684     1.0000     8.6024     8.6024     0.0000 
   C  24   12.1244     8.6603     1.0000    13.0000     9.5879     0.0000 
   C  25    1.7320     8.6603    13.0000     1.0000     8.8358    13.8564 
   C  26    8.6603     1.7320     8.8358     9.5879     1.0000     9.7980 
   H  27    4.4067     4.0507     7.0785     5.3846     4.8210     8.0036 
   H  28    4.2471     4.8282     7.0372     5.1785     5.6148     7.9169 
   H  29    4.0507     6.2993     7.4738     4.8210     7.0785     8.2506 
   H  30    4.8282     6.1888     6.6942     5.6148     7.0372     7.4597 
   H  31    6.5340     4.4066     4.8211     7.4738     5.3846     5.7469 
   H  32    5.7470     4.2470     5.6148     6.6942     5.1784     6.5339 
   H  33    6.5469     5.8258     4.8282     7.3957     6.7894     5.6148 
   H  34    7.3422     6.0581     4.0507     8.1928     7.0465     4.8210 
   H  35    3.8918     4.9059     7.3957     4.8282     5.6490     8.2753 
   H  36    3.1022     5.1797     8.1928     4.0507     5.8203     9.0712 
   H  37    5.8259     3.8918     5.6490     6.7895     4.8282     6.5895 
   H  38    6.0582     3.1022     5.8203     7.0466     4.0507     6.7958 
   H  39    8.2506     5.1767     3.1022     9.1781     6.1730     4.0507 
   H  40    7.4598     4.7599     3.8917     8.3924     5.7591     4.8281 
   H  41    2.4060     6.8602     9.1781     3.1022     7.4668     9.9726 
   H  42    3.1513     6.5514     8.3923     3.8918     7.2394     9.1796 
   H  43    5.1768     2.4060     7.4668     6.1731     3.1022     8.4521 
   H  44    4.7600     3.1512     7.2394     5.7592     3.8917     8.2035 
   H  45    8.2754     6.4466     3.1512     9.1278     7.4463     3.8917 
   H  46    9.0712     6.8616     2.4060     9.9248     7.8591     3.1022 
   H  47    2.1829     5.6292     9.1278     3.1512     6.1481    10.0051 
   H  48    1.4157     6.1000     9.9248     2.4060     6.5210    10.8012 
   H  49    6.4467     2.1829     6.1481     7.4464     3.1512     7.1443 
   H  50    6.8616     1.4157     6.5210     7.8592     2.4060     7.5209 
   H  51    6.3388     1.0812     8.2099     7.2952     1.4155     9.2098 
   H  52    5.7686     1.5968     7.8292     6.7468     2.1829     8.8270 
   H  53    1.0812     7.7745    10.8911     1.4156     8.2099    11.6975 
   H  54    1.5968     7.3171    10.1020     2.1829     7.8292    10.9035 
   H  55    9.9727     6.3387     1.4156    10.8912     7.2951     2.4059 
   H  56    9.1797     5.7685     2.1829    10.1021     6.7468     3.1512 
   H  57    7.4283     0.6201     7.0488     8.4142     1.5968     8.0412 
   H  58    7.9664     0.6200     7.5613     8.9376     1.0813     8.5408 
   H  59    0.6201     6.7310    10.8598     1.5968     7.0488    11.7354 
   H  60    0.6200     7.3205    11.6569     1.0813     7.5613    12.5319 
   H  61   10.0051     7.4282     1.5968    10.8598     8.4142     2.1829 
   H  62   10.8013     7.9663     1.0812    11.6569     8.9375     1.4155 
   H  63    7.7175     1.5967     9.2223     8.6216     0.6199    10.2078 
   H  64    7.0638     1.0812     8.7284     7.9920     0.6199     9.7230 
   H  65    1.5967     8.9344    12.6095     0.6199     9.2223    13.4243 
   H  66    1.0812     8.3761    11.8182     0.6200     8.7283    12.6295 
   H  67   11.6976     7.7175     0.6200    12.6095     8.6215     1.0813 
   H  68   10.9036     7.0637     0.6200    11.8183     7.9919     1.5967 
   H  69    8.7561     1.5200     8.2439     9.7065     1.1766     9.2005 
   H  70    9.2761     2.2900     9.0333    10.2004     1.6199     9.9764 
   H  71    8.6082     2.1114     9.4314     9.5083     1.1766    10.3980 
   H  72    1.5200     8.0938    12.6805     1.1766     8.2439    13.5570 
   H  73    2.2900     8.9220    13.5286     1.6199     9.0333    14.3966 
   H  74    2.1114     9.2336    13.3408     1.1766     9.4314    14.1766 
   H  75   11.8266     8.7561     1.1766    12.6805     9.7065     0.6200 
   H  76   12.6651     9.2761     1.6199    13.5286    10.2004     0.6200 
   H  77   12.4460     8.6082     1.1766    13.3408     9.5083     0.6200 

              C  25      C  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    9.7980     0.0000 
   H  27    6.0861     5.7469     0.0000 
   H  28    5.9716     6.5338     0.7971     0.0000 
   H  29    5.7469     8.0036     2.2582     1.4712     0.0000 
   H  30    6.5338     7.9169     2.2963     1.5290     0.7971     0.0000 
   H  31    8.2506     6.0860     2.2581     2.2963     3.1936     2.6081 
   H  32    7.4597     5.9715     1.4712     1.5291     2.6081     2.1625 
   H  33    8.2753     7.5222     2.8904     2.4934     2.6458     1.8691 
   H  34    9.0712     7.7036     3.5595     3.2453     3.4318     2.6458 
   H  35    5.6148     6.5895     0.8672     0.3587     1.4515     1.6888 
   H  36    4.8211     6.7958     1.3997     1.1557     1.6888     2.2064 
   H  37    7.5223     5.6148     1.4515     1.6888     2.8905     2.4934 
   H  38    7.7037     4.8211     1.6888     2.2064     3.5595     3.2454 
   H  39    9.9726     6.6648     3.9820     4.0038     4.6861     3.9752 
   H  40    9.1797     6.3466     3.1877     3.2148     3.9753     3.3039 
   H  41    4.0507     8.4521     3.0171     2.4835     1.7320     2.5291 
   H  42    4.8282     8.2035     2.5525     1.8921     0.9349     1.7320 
   H  43    6.6649     4.0507     1.7320     2.5291     3.9821     4.0038 
   H  44    6.3467     4.8281     0.9350     1.7321     3.1877     3.2148 
   H  45   10.0051     8.0127     4.3990     4.1489     4.3590     3.5683 
   H  46   10.8012     8.3502     5.1407     4.9284     5.1515     4.3589 
   H  47    3.8917     7.1443     2.2348     2.0907     2.3121     2.9753 
   H  48    3.1022     7.5209     2.9937     2.8877     2.9752     3.6917 
   H  49    8.0128     3.8917     2.3121     2.9753     4.3991     4.1490 
   H  50    8.3503     3.1022     2.9752     3.6917     5.1408     4.9285 
   H  51    7.6028     2.4059     3.4641     4.2612     5.7110     5.7261 
   H  52    7.1344     3.1512     2.6670     3.4641     4.9150     4.9327 
   H  53    2.4060     9.2097     4.3710     4.0213     3.4640     4.2611 
   H  54    3.1512     8.8270     3.7091     3.2898     2.6670     3.4641 
   H  55   11.6976     7.6027     5.7109     5.7261     6.3025     5.5500 
   H  56   10.9035     7.1343     4.9150     4.9327     5.5500     4.8119 
   H  57    8.8218     2.1829     3.8189     4.5664     6.0289     5.8489 
   H  58    9.2794     1.4156     4.5664     5.3283     6.7960     6.6369 
   H  59    2.1829     8.0412     3.9034     3.8227     3.8189     4.5664 
   H  60    1.4156     8.5408     4.6868     4.6198     4.5664     5.3283 
   H  61   11.7354     8.8217     6.0289     5.8489     6.0828     5.2888 
   H  62   12.5319     9.2794     6.7960     6.6368     6.8775     6.0828 
   H  63    8.7854     1.0812     5.1961     5.9932     7.4412     7.4529 
   H  64    8.2170     1.5967     4.3991     5.1962     6.6449     6.6580 
   H  65    1.0812    10.2078     5.9253     5.6723     5.1961     5.9932 
   H  66    1.5968     9.7229     5.1961     4.9056     4.3990     5.1961 
   H  67   13.4244     8.7853     7.4412     7.4529     7.9676     7.1974 
   H  68   12.6296     8.2169     6.6449     6.6580     7.1975     6.4338 
   H  69    9.9764     0.6200     5.5630     6.3338     7.8039     7.6592 
   H  70   10.3980     0.6200     6.3322     7.1146     8.5856     8.4757 
   H  71    9.6561     0.6200     5.9896     6.7849     8.2453     8.2134 
   H  72    0.6200     9.2005     5.6900     5.6437     5.5630     6.3338 
   H  73    0.6200     9.9764     6.5600     6.4921     6.3322     7.1146 
   H  74    0.6200    10.3980     6.5172     6.3433     5.9896     6.7849 
   H  75   13.5570     9.9764     7.8039     7.6592     7.8950     7.0992 
   H  76   14.3966    10.3980     8.5856     8.4757     8.7550     7.9604 
   H  77   14.1766     9.6561     8.2453     8.2134     8.6362     7.8526 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.7971     0.0000 
   H  33    1.4515     1.6888     0.0000 
   H  34    1.6888     2.2064     0.7971     0.0000 
   H  35    2.6458     1.8691     2.8311     3.5920     0.0000 
   H  36    3.4318     2.6458     3.5920     4.3658     0.7971     0.0000 
   H  37    0.8672     0.3586     2.0018     2.4518     2.0019     2.7434 
   H  38    1.3996     1.1556     2.7433     3.0870     2.4519     3.0871 
   H  39    1.7320     2.5291     2.2064     1.6888     4.3589     5.1515 
   H  40    0.9350     1.7321     1.6889     1.4515     3.5683     4.3590 
   H  41    4.6861     3.9752     4.3589     5.1515     2.2064     1.6888 
   H  42    3.9752     3.3038     3.5682     4.3589     1.6888     1.4515 
   H  43    3.0170     2.4834     4.1689     4.6578     2.5470     2.7738 
   H  44    2.5525     1.8921     3.5329     4.0984     1.7615     2.0760 
   H  45    2.3121     2.9753     1.7321     0.9350     4.5005     5.2823 
   H  46    2.9752     3.6917     2.5291     1.7320     5.2822     6.0680 
   H  47    4.3590     3.5683     4.5005     5.2823     1.7321     0.9350 
   H  48    5.1515     4.3589     5.2822     6.0680     2.5291     1.7320 
   H  49    2.2347     2.0906     3.6431     3.9085     3.1594     3.6743 
   H  50    2.9936     2.8876     4.4216     4.6427     3.8401     4.2738 
   H  51    4.3710     4.0213     5.6926     6.0598     4.2688     4.4079 
   H  52    3.7090     3.2897     4.9745     5.3909     3.4752     3.6447 
   H  53    6.3024     5.5499     6.0827     6.8774     3.6917     2.9752 
   H  54    5.5500     4.8119     5.2888     6.0828     2.9753     2.3121 
   H  55    3.4641     4.2612     3.6918     2.9753     6.0828     6.8775 
   H  56    2.6670     3.4641     2.9753     2.3121     5.2888     6.0828 
   H  57    3.9033     3.8226     5.3419     5.5263     4.6857     5.0472 
   H  58    4.6867     4.6197     6.1300     6.2913     5.4297     5.7446 
   H  59    6.0828     5.2888     6.2042     6.9930     3.4641     2.6670 
   H  60    6.8775     6.0828     6.9930     7.7835     4.2612     3.4641 
   H  61    3.8189     4.5664     3.4641     2.6670     6.2042     6.9930 
   H  62    4.5664     5.3283     4.2612     3.4641     6.9930     7.7835 
   H  63    5.9252     5.6722     7.3097     7.5991     5.9964     6.0962 
   H  64    5.1961     4.9056     6.5583     6.8794     5.2011     5.3158 
   H  65    7.9676     7.1974     7.8102     8.6058     5.3283     4.5664 
   H  66    7.1974     6.4337     7.0149     7.8102     4.5664     3.8189 
   H  67    5.1961     5.9932     5.3283     4.5664     7.8102     8.6058 
   H  68    4.3991     5.1962     4.5665     3.8190     7.0150     7.8103 
   H  69    5.6899     5.6436     7.1377     7.2699     6.4216     6.6973 
   H  70    6.5599     6.4920     8.0057     8.1461     7.1807     7.4039 
   H  71    6.5171     6.3432     7.9366     8.1613     6.8100     6.9484 
   H  72    7.8950     7.0992     8.0158     8.8071     5.2851     4.4880 
   H  73    8.7550     7.9604     8.8335     9.6277     6.1338     5.3371 
   H  74    8.6362     7.8526     8.5719     9.3690     5.9908     5.2069 
   H  75    5.5630     6.3338     5.2851     4.4880     8.0158     8.8071 
   H  76    6.3323     7.1146     6.1338     5.3370     8.8335     9.6278 
   H  77    5.9896     6.7849     5.9908     5.2069     8.5719     9.3690 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.7971     0.0000 
   H  39    2.5470     2.7738     0.0000 
   H  40    1.7615     2.0760     0.7970     0.0000 
   H  41    4.1690     4.6579     6.3024     5.5500     0.0000 
   H  42    3.5329     4.0984     5.5499     4.8119     0.7971     0.0000 
   H  43    2.2064     1.6888     4.4564     3.7636     4.4565     4.1560 
   H  44    1.6889     1.4515     4.1560     3.4025     3.7636     3.4025 
   H  45    3.1594     3.6742     1.4515     1.6888     6.0828     5.2888 
   H  46    3.8401     4.2737     1.6888     2.2063     6.8774     6.0827 
   H  47    3.6432     3.9086     6.0828     5.2889     1.4515     1.6889 
   H  48    4.4217     4.6428     6.8774     6.0828     1.6888     2.2064 
   H  49    1.7321     0.9350     3.2755     2.7101     5.3271     4.8455 
   H  50    2.5291     1.7320     3.8336     3.3634     5.9543     5.5276 
   H  51    3.6918     2.9753     5.4647     4.9161     6.0513     5.8336 
   H  52    2.9753     2.3121     4.9512     4.3381     5.3067     5.0570 
   H  53    5.6926     6.0598     7.9675     7.1974     1.7320     2.5291 
   H  54    4.9746     5.3909     7.1974     6.4338     0.9350     1.7321 
   H  55    4.2688     4.4079     1.7321     2.5291     7.9676     7.1974 
   H  56    3.4751     3.6447     0.9350     1.7320     7.1974     6.4337 
   H  57    3.4641     2.6670     4.5794     4.1936     6.7360     6.3620 
   H  58    4.2612     3.4641     5.2631     4.9311     7.4305     7.0931 
   H  59    5.3420     5.5264     7.8102     7.0150     2.3121     2.9753 
   H  60    6.1301     6.2914     8.6058     7.8103     2.9753     3.6918 
   H  61    4.6856     5.0471     2.3121     2.9752     7.8102     7.0149 
   H  62    5.4297     5.7446     2.9753     3.6917     8.6058     7.8102 
   H  63    5.3283     4.5664     6.7724     6.3380     7.7055     7.5358 
   H  64    4.5665     3.8190     6.1446     5.6623     6.9396     6.7506 
   H  65    7.3098     7.5992     9.6562     8.8771     3.4641     4.2612 
   H  66    6.5583     6.8794     8.8770     8.1014     2.6670     3.4641 
   H  67    5.9964     6.0962     3.4641     4.2611     9.6562     8.8770 
   H  68    5.2011     5.3158     2.6671     3.4641     8.8771     8.1014 
   H  69    5.2851     4.4880     6.1560     5.8831     8.3750     8.0711 
   H  70    6.1338     5.3371     7.0242     6.7596     9.0646     8.8052 
   H  71    5.9908     5.2069     7.1912     6.8349     8.5735     8.3797 
   H  72    7.1378     7.2700     9.6248     8.8287     3.9245     4.6702 
   H  73    8.0058     8.1462    10.4828     9.6876     4.6496     5.4201 
   H  74    7.9367     8.1614    10.3459     9.5581     4.2642     5.0577 
   H  75    6.4216     6.6973     3.9245     4.6701     9.6248     8.8286 
   H  76    7.1807     7.4039     4.6496     5.4200    10.4828     9.6874 
   H  77    6.8100     6.9484     4.2642     5.0576    10.3459     9.5580 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.7970     0.0000 
   H  45    5.3270     4.8455     0.0000 
   H  46    5.9542     5.5276     0.7970     0.0000 
   H  47    3.2756     2.7102     6.2043     6.9930     0.0000 
   H  48    3.8337     3.3635     6.9930     7.7834     0.7970     0.0000 
   H  49    1.4515     1.6888     4.3871     4.9001     4.3871     5.0523 
   H  50    1.6888     2.2063     5.0522     5.5036     4.9002     5.5037 
   H  51    1.7321     2.5291     6.5881     7.1048     4.7397     5.1413 
   H  52    0.9350     1.7320     5.9785     6.5436     4.0397     4.5041 
   H  53    5.4647     4.9161     7.8102     8.6057     2.2063     1.6888 
   H  54    4.9513     4.3381     7.0150     7.8102     1.6888     1.4515 
   H  55    6.0513     5.8336     2.2064     1.6889     7.8103     8.6058 
   H  56    5.3067     5.0570     1.6888     1.4515     7.0150     7.8102 
   H  57    2.3121     2.9752     5.8746     6.2670     5.5876     6.1237 
   H  58    2.9753     3.6917     6.5993     6.9510     6.2247     6.7101 
   H  59    4.5795     4.1937     7.9204     8.7121     1.7320     0.9350 
   H  60    5.2632     4.9312     8.7122     9.5049     2.5291     1.7321 
   H  61    6.7360     6.3620     1.7320     0.9350     7.9204     8.7121 
   H  62    7.4304     7.0931     2.5291     1.7321     8.7122     9.5049 
   H  63    3.4641     4.2611     8.0267     8.4560     6.3403     6.6459 
   H  64    2.6671     3.4641     7.3490     7.8156     5.5941     5.9381 
   H  65    6.7725     6.3381     9.5394    10.3354     3.6917     2.9753 
   H  66    6.1446     5.6623     8.7435     9.5393     2.9752     2.3121 
   H  67    7.7055     7.5358     3.6917     2.9753     9.5394    10.3354 
   H  68    6.9396     6.7506     2.9753     2.3122     8.7436     9.5394 
   H  69    3.9245     4.6701     7.5304     7.8341     7.1216     7.5561 
   H  70    4.6496     5.4200     8.4046     8.6985     7.7625     8.1408 
   H  71    4.2642     5.0576     8.5129     8.8796     7.2205     7.5367 
   H  72    6.1561     5.8831     9.7365    10.5295     3.5531     2.7563 
   H  73    7.0243     6.7597    10.5599    11.3549     4.4026     3.6063 
   H  74    7.1913     6.8350    10.3040    11.1010     4.2935     3.5240 
   H  75    8.3750     8.0712     3.5531     2.7563     9.7365    10.5295 
   H  76    9.0646     8.8052     4.4026     3.6063    10.5599    11.3549 
   H  77    8.5735     8.3797     4.2935     3.5240    10.3040    11.1010 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.7970     0.0000 
   H  51    2.2064     1.6889     0.0000 
   H  52    1.6888     1.4515     0.7971     0.0000 
   H  53    6.5881     7.1048     6.8280     6.1777     0.0000 
   H  54    5.9786     6.5437     6.4244     5.7285     0.7970     0.0000 
   H  55    4.7397     5.1412     6.8280     6.4244     9.6562     8.8771 
   H  56    4.0396     4.5040     6.1777     5.7285     8.8770     8.1014 
   H  57    1.7320     0.9350     1.4515     1.6888     7.7717     7.2622 
   H  58    2.5291     1.7321     1.6888     2.2064     8.3808     7.9106 
   H  59    5.8747     6.2671     5.7190     5.1537     1.4515     1.6888 
   H  60    6.5994     6.9510     6.2798     5.7698     1.6889     2.2064 
   H  61    5.5875     6.1236     7.7717     7.2622     9.5393     8.7435 
   H  62    6.2247     6.7101     8.3808     7.9106    10.3354     9.5394 
   H  63    3.6917     2.9753     1.7320     2.5291     8.3294     8.0019 
   H  64    2.9753     2.3122     0.9350     1.7321     7.6264     7.2673 
   H  65    8.0268     8.4561     7.9136     7.3599     1.7321     2.5291 
   H  66    7.3490     7.8156     7.3834     6.7866     0.9350     1.7320 
   H  67    6.3403     6.6458     8.3294     8.0019    11.3579    10.5736 
   H  68    5.5940     5.9381     7.6264     7.2672    10.5736     9.7914 
   H  69    3.5531     2.7563     2.4199     3.0828     9.2402     8.8104 
   H  70    4.4026     3.6063     3.0231     3.7599     9.8296     9.4459 
   H  71    4.2935     3.5240     2.5474     3.3355     9.2209     8.8870 
   H  72    7.5305     7.8341     7.0298     6.5857     2.4199     3.0828 
   H  73    8.4047     8.6986     7.8516     7.4323     3.0231     3.7599 
   H  74    8.5130     8.8797     8.1826     7.6939     2.5475     3.3355 
   H  75    7.1216     7.5561     9.2402     8.8104    11.3553    10.5589 
   H  76    7.7625     8.1408     9.8297     9.4459    12.2118    11.4161 
   H  77    7.2205     7.5367     9.2210     8.8870    12.0619    11.2716 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    0.7971     0.0000 
   H  57    5.7189     5.1537     0.0000 
   H  58    6.2798     5.7697     0.7971     0.0000 
   H  59    9.5394     8.7435     6.8180     7.3493     0.0000 
   H  60   10.3355     9.5394     7.4516     7.9406     0.7971     0.0000 
   H  61    1.4515     1.6888     6.8179     7.4515     9.6421    10.4356 
   H  62    1.6888     2.2064     7.3492     7.9405    10.4356    11.2296 
   H  63    7.9135     7.3598     2.2064     1.6888     7.1022     7.5612 
   H  64    7.3834     6.7866     1.6889     1.4515     6.4448     6.9473 
   H  65   11.3580    10.5736     9.0236     9.5532     2.2064     1.6888 
   H  66   10.5736     9.7913     8.4264     8.9912     1.6888     1.4515 
   H  67    1.7320     2.5291     7.1022     7.5611    11.2694    12.0658 
   H  68    0.9350     1.7321     6.4448     6.9472    10.4732    11.2695 
   H  69    7.0297     6.5856     1.8217     1.0254     8.1361     8.6796 
   H  70    7.8515     7.4322     2.6726     1.8777     8.6573     9.1502 
   H  71    8.1826     7.6938     2.6421     1.9300     7.9934     8.4452 
   H  72   11.3554    10.5589     8.2745     8.7118     1.8217     1.0254 
   H  73   12.2119    11.4161     9.1205     9.5380     2.6726     1.8777 
   H  74   12.0620    11.2717     9.3782     9.8534     2.6421     1.9300 
   H  75    2.4199     3.0828     8.1361     8.6796    11.4606    12.2547 
   H  76    3.0231     3.7599     8.6573     9.1502    12.2878    13.0834 
   H  77    2.5475     3.3355     7.9934     8.4452    12.0360    12.8330 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    0.7971     0.0000 
   H  63    9.0235     9.5531     0.0000 
   H  64    8.4264     8.9912     0.7970     0.0000 
   H  65   11.2694    12.0658     9.2402     8.6119     0.0000 
   H  66   10.4731    11.2694     8.7905     8.1274     0.7971     0.0000 
   H  67    2.2064     1.6888     9.2402     8.7905    13.0677    12.2801 
   H  68    1.6889     1.4515     8.6118     8.1274    12.2802    11.4939 
   H  69    8.2744     8.7117     1.5200     1.7879    10.3258     9.8031 
   H  70    9.1204     9.5379     1.6309     2.2127    10.8202    10.3401 
   H  71    9.3781     9.8533     0.8924     1.6343    10.1265     9.6818 
   H  72   11.4606    12.2547     8.1816     7.6244     1.5200     1.7880 
   H  73   12.2878    13.0834     8.9417     8.4134     1.6309     2.2128 
   H  74   12.0360    12.8330     9.3912     8.8134     0.8924     1.6344 
   H  75    1.8217     1.0254    10.3258     9.8032    13.0862    12.2896 
   H  76    2.6726     1.8777    10.8202    10.3401    13.9417    13.1455 
   H  77    2.6420     1.9300    10.1265     9.6819    13.7821    12.9901 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    0.7970     0.0000 
   H  69    8.1815     7.6243     0.0000 
   H  70    8.9416     8.4133     0.8768     0.0000 
   H  71    9.3912     8.8133     1.2399     0.8768     0.0000 
   H  72   13.0862    12.2897     9.3903     9.7980     9.0493     0.0000 
   H  73   13.9417    13.1456    10.1895    10.5663     9.7980     0.8768 
   H  74   13.7821    12.9902    10.5663    11.0003    10.2645     1.2399 
   H  75    1.5201     1.7880     9.3903    10.1895    10.5663    13.2799 
   H  76    1.6310     2.2128     9.7980    10.5663    11.0003    14.1087 
   H  77    0.8924     1.6343     9.0493     9.7980    10.2645    13.8564 

              H  73      H  74      H  75      H  76      H  77
              -------------------------------------------------------
   H  73    0.0000 
   H  74    0.8768     0.0000 
   H  75   14.1087    13.8564     0.0000 
   H  76   14.9431    14.7051     0.8768     0.0000 
   H  77   14.7051    14.5162     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   P   1    0.0891305064
   O   2   -0.3209702539
   C   3    0.0009559129
   C   4    0.0009559129
   C   5    0.0009559129
   C   6   -0.0464119606
   C   7   -0.0464119606
   C   8   -0.0464119606
   C   9   -0.0526506224
   C  10   -0.0526506224
   C  11   -0.0526506224
   C  12   -0.0530454259
   C  13   -0.0530454259
   C  14   -0.0530454259
   C  15   -0.0530652389
   C  16   -0.0530652389
   C  17   -0.0530652389
   C  18   -0.0533058787
   C  19   -0.0533058787
   C  20   -0.0533058787
   C  21   -0.0559109602
   C  22   -0.0559109602
   C  23   -0.0559109602
   C  24   -0.0652762791
   C  25   -0.0652762791
   C  26   -0.0652762791
   H  27    0.0341956684
   H  28    0.0341956684
   H  29    0.0341956684
   H  30    0.0341956684
   H  31    0.0341956684
   H  32    0.0341956684
   H  33    0.0269517162
   H  34    0.0269517162
   H  35    0.0269517162
   H  36    0.0269517162
   H  37    0.0269517162
   H  38    0.0269517162
   H  39    0.0265399088
   H  40    0.0265399088
   H  41    0.0265399088
   H  42    0.0265399088
   H  43    0.0265399088
   H  44    0.0265399088
   H  45    0.0265285861
   H  46    0.0265285861
   H  47    0.0265285861
   H  48    0.0265285861
   H  49    0.0265285861
   H  50    0.0265285861
   H  51    0.0265283463
   H  52    0.0265283463
   H  53    0.0265283463
   H  54    0.0265283463
   H  55    0.0265283463
   H  56    0.0265283463
   H  57    0.0265200490
   H  58    0.0265200490
   H  59    0.0265200490
   H  60    0.0265200490
   H  61    0.0265200490
   H  62    0.0265200490
   H  63    0.0262646413
   H  64    0.0262646413
   H  65    0.0262646413
   H  66    0.0262646413
   H  67    0.0262646413
   H  68    0.0262646413
   H  69    0.0229775121
   H  70    0.0229775121
   H  71    0.0229775121
   H  72    0.0229775121
   H  73    0.0229775121
   H  74    0.0229775121
   H  75    0.0229775121
   H  76    0.0229775121
   H  77    0.0229775121


BOND ANGLES
   2    1    3   O2    P   C3     90.000
   2    1    4   O2    P   C3     90.000
   2    1    5   O2    P   C3    179.974
   3    1    4   C3    P   C3    179.974
   3    1    5   C3    P   C3     90.000
   4    1    5   C3    P   C3     90.000
   1    3    6    P   C3   C3    120.001
   1    3   31    P   C3   HC    160.003
   1    3   32    P   C3   HC     80.006
   6    3   31   C3   C3   HC     79.996
   6    3   32   C3   C3   HC    159.993
  31    3   32   HC   C3   HC     79.997
   1    4    7    P   C3   C3    119.999
   1    4   29    P   C3   HC    160.009
   1    4   30    P   C3   HC     80.000
   7    4   29   C3   C3   HC     79.993
   7    4   30   C3   C3   HC    160.002
  29    4   30   HC   C3   HC     80.009
   1    5    8    P   C3   C3    120.001
   1    5   27    P   C3   HC    160.009
   1    5   28    P   C3   HC     80.000
   8    5   27   C3   C3   HC     79.990
   8    5   28   C3   C3   HC    159.999
  27    5   28   HC   C3   HC     80.009
   3    6    9   C3   C3   C3    120.001
   3    6   33   C3   C3   HC     79.990
   3    6   34   C3   C3   HC    159.999
   9    6   33   C3   C3   HC    160.009
   9    6   34   C3   C3   HC     80.000
  33    6   34   HC   C3   HC     80.009
   4    7   10   C3   C3   C3    120.001
   4    7   35   C3   C3   HC     80.006
   4    7   36   C3   C3   HC    160.003
  10    7   35   C3   C3   HC    159.993
  10    7   36   C3   C3   HC     79.996
  35    7   36   HC   C3   HC     79.997
   5    8   11   C3   C3   C3    120.001
   5    8   37   C3   C3   HC     79.996
   5    8   38   C3   C3   HC    159.993
  11    8   37   C3   C3   HC    160.003
  11    8   38   C3   C3   HC     80.006
  37    8   38   HC   C3   HC     79.997
   6    9   12   C3   C3   C3    119.999
   6    9   39   C3   C3   HC    159.996
   6    9   40   C3   C3   HC     80.006
  12    9   39   C3   C3   HC     80.006
  12    9   40   C3   C3   HC    159.996
  39    9   40   HC   C3   HC     79.990
   7   10   13   C3   C3   C3    120.001
   7   10   41   C3   C3   HC    159.999
   7   10   42   C3   C3   HC     79.990
  13   10   41   C3   C3   HC     80.000
  13   10   42   C3   C3   HC    160.009
  41   10   42   HC   C3   HC     80.009
   8   11   14   C3   C3   C3    119.999
   8   11   43   C3   C3   HC    160.002
   8   11   44   C3   C3   HC     80.000
  14   11   43   C3   C3   HC     80.000
  14   11   44   C3   C3   HC    160.002
  43   11   44   HC   C3   HC     80.002
   9   12   15   C3   C3   C3    119.999
   9   12   45   C3   C3   HC     80.000
   9   12   46   C3   C3   HC    160.002
  15   12   45   C3   C3   HC    160.002
  15   12   46   C3   C3   HC     80.000
  45   12   46   HC   C3   HC     80.002
  10   13   16   C3   C3   C3    119.999
  10   13   47   C3   C3   HC     80.006
  10   13   48   C3   C3   HC    159.996
  16   13   47   C3   C3   HC    159.996
  16   13   48   C3   C3   HC     80.006
  47   13   48   HC   C3   HC     79.990
  11   14   17   C3   C3   C3    119.999
  11   14   49   C3   C3   HC     80.006
  11   14   50   C3   C3   HC    159.996
  17   14   49   C3   C3   HC    159.996
  17   14   50   C3   C3   HC     80.006
  49   14   50   HC   C3   HC     79.990
  12   15   18   C3   C3   C3    120.001
  12   15   55   C3   C3   HC    160.003
  12   15   56   C3   C3   HC     80.006
  18   15   55   C3   C3   HC     79.996
  18   15   56   C3   C3   HC    159.993
  55   15   56   HC   C3   HC     79.997
  13   16   19   C3   C3   C3    120.001
  13   16   53   C3   C3   HC    160.002
  13   16   54   C3   C3   HC     80.000
  19   16   53   C3   C3   HC     79.997
  19   16   54   C3   C3   HC    159.999
  53   16   54   HC   C3   HC     80.002
  14   17   20   C3   C3   C3    120.001
  14   17   51   C3   C3   HC    160.009
  14   17   52   C3   C3   HC     80.000
  20   17   51   C3   C3   HC     79.990
  20   17   52   C3   C3   HC    159.999
  51   17   52   HC   C3   HC     80.009
  15   18   21   C3   C3   C3    120.001
  15   18   61   C3   C3   HC     79.990
  15   18   62   C3   C3   HC    159.999
  21   18   61   C3   C3   HC    160.009
  21   18   62   C3   C3   HC     80.000
  61   18   62   HC   C3   HC     80.009
  16   19   22   C3   C3   C3    120.001
  16   19   59   C3   C3   HC     79.996
  16   19   60   C3   C3   HC    159.993
  22   19   59   C3   C3   HC    160.003
  22   19   60   C3   C3   HC     80.006
  59   19   60   HC   C3   HC     79.997
  17   20   23   C3   C3   C3    120.001
  17   20   57   C3   C3   HC     79.996
  17   20   58   C3   C3   HC    159.993
  23   20   57   C3   C3   HC    160.003
  23   20   58   C3   C3   HC     80.006
  57   20   58   HC   C3   HC     79.997
  18   21   24   C3   C3   C3    119.999
  18   21   67   C3   C3   HC    159.996
  18   21   68   C3   C3   HC     80.006
  24   21   67   C3   C3   HC     80.006
  24   21   68   C3   C3   HC    159.996
  67   21   68   HC   C3   HC     79.990
  19   22   25   C3   C3   C3    119.999
  19   22   65   C3   C3   HC    160.002
  19   22   66   C3   C3   HC     79.993
  25   22   65   C3   C3   HC     80.000
  25   22   66   C3   C3   HC    160.009
  65   22   66   HC   C3   HC     80.009
  20   23   26   C3   C3   C3    119.999
  20   23   63   C3   C3   HC    160.002
  20   23   64   C3   C3   HC     80.000
  26   23   63   C3   C3   HC     80.000
  26   23   64   C3   C3   HC    160.002
  63   23   64   HC   C3   HC     80.002
  21   24   75   C3   C3   HC     89.999
  21   24   76   C3   C3   HC    179.974
  21   24   77   C3   C3   HC     90.001
  75   24   76   HC   C3   HC     90.000
  75   24   77   HC   C3   HC    179.974
  76   24   77   HC   C3   HC     90.000
  22   25   72   C3   C3   HC     89.999
  22   25   73   C3   C3   HC    179.974
  22   25   74   C3   C3   HC     90.001
  72   25   73   HC   C3   HC     90.000
  72   25   74   HC   C3   HC    179.974
  73   25   74   HC   C3   HC     90.000
  23   26   69   C3   C3   HC     89.999
  23   26   70   C3   C3   HC    179.974
  23   26   71   C3   C3   HC     90.001
  69   26   70   HC   C3   HC     90.000
  69   26   71   HC   C3   HC    179.974
  70   26   71   HC   C3   HC     90.000


TORSION ANGLES
   2    1    3    6      0.026
   2    1    3   31    179.974
   2    1    3   32    179.974
   4    1    3    6    180.000
   4    1    3   31    180.000
   4    1    3   32    180.000
   5    1    3    6    179.974
   5    1    3   31      0.026
   5    1    3   32      0.026
   2    1    4    7    179.974
   2    1    4   29      0.026
   2    1    4   30      0.026
   3    1    4    7    180.000
   3    1    4   29    180.000
   3    1    4   30    180.000
   5    1    4    7      0.026
   5    1    4   29    179.974
   5    1    4   30    179.974
   2    1    5    8    180.000
   2    1    5   27    180.000
   2    1    5   28    180.000
   3    1    5    8      0.026
   3    1    5   27    179.974
   3    1    5   28    179.974
   4    1    5    8    179.974
   4    1    5   27      0.026
   4    1    5   28      0.026
   1    3    6    9    179.974
   1    3    6   33      0.026
   1    3    6   34      0.026
  31    3    6    9      0.026
  31    3    6   33    179.974
  31    3    6   34    179.974
  32    3    6    9      0.026
  32    3    6   33    179.974
  32    3    6   34    179.974
   1    4    7   10    179.974
   1    4    7   35      0.026
   1    4    7   36      0.026
  29    4    7   10      0.026
  29    4    7   35    179.974
  29    4    7   36    179.974
  30    4    7   10      0.026
  30    4    7   35    179.974
  30    4    7   36    179.974
   1    5    8   11    179.974
   1    5    8   37      0.026
   1    5    8   38      0.026
  27    5    8   11      0.026
  27    5    8   37    179.974
  27    5    8   38    179.974
  28    5    8   11      0.026
  28    5    8   37    179.974
  28    5    8   38    179.974
   3    6    9   12    179.974
   3    6    9   39      0.026
   3    6    9   40      0.026
  33    6    9   12      0.026
  33    6    9   39    179.974
  33    6    9   40    179.974
  34    6    9   12      0.026
  34    6    9   39    179.974
  34    6    9   40    179.974
   4    7   10   13    179.974
   4    7   10   41      0.026
   4    7   10   42      0.026
  35    7   10   13      0.026
  35    7   10   41    179.974
  35    7   10   42    179.974
  36    7   10   13      0.026
  36    7   10   41    179.974
  36    7   10   42    179.974
   5    8   11   14    179.974
   5    8   11   43      0.026
   5    8   11   44      0.026
  37    8   11   14      0.026
  37    8   11   43    179.974
  37    8   11   44    179.974
  38    8   11   14      0.026
  38    8   11   43    179.974
  38    8   11   44    179.974
   6    9   12   15    179.974
   6    9   12   45      0.026
   6    9   12   46      0.026
  39    9   12   15      0.026
  39    9   12   45    179.974
  39    9   12   46    179.974
  40    9   12   15      0.026
  40    9   12   45    179.974
  40    9   12   46    179.974
   7   10   13   16    179.974
   7   10   13   47      0.026
   7   10   13   48      0.026
  41   10   13   16      0.026
  41   10   13   47    179.974
  41   10   13   48    179.974
  42   10   13   16      0.026
  42   10   13   47    179.974
  42   10   13   48    179.974
   8   11   14   17    179.974
   8   11   14   49      0.026
   8   11   14   50      0.026
  43   11   14   17      0.026
  43   11   14   49    179.974
  43   11   14   50    179.974
  44   11   14   17      0.026
  44   11   14   49    179.974
  44   11   14   50    179.974
   9   12   15   18    179.974
   9   12   15   55      0.026
   9   12   15   56      0.026
  45   12   15   18      0.026
  45   12   15   55    179.974
  45   12   15   56    179.974
  46   12   15   18      0.026
  46   12   15   55    179.974
  46   12   15   56    179.974
  10   13   16   19    179.974
  10   13   16   53      0.026
  10   13   16   54      0.026
  47   13   16   19      0.026
  47   13   16   53    179.974
  47   13   16   54    179.974
  48   13   16   19      0.026
  48   13   16   53    179.974
  48   13   16   54    179.974
  11   14   17   20    179.974
  11   14   17   51      0.026
  11   14   17   52      0.026
  49   14   17   20      0.026
  49   14   17   51    179.974
  49   14   17   52    179.974
  50   14   17   20      0.026
  50   14   17   51    179.974
  50   14   17   52    179.974
  12   15   18   21    179.974
  12   15   18   61      0.026
  12   15   18   62      0.026
  55   15   18   21      0.026
  55   15   18   61    179.974
  55   15   18   62    179.974
  56   15   18   21      0.026
  56   15   18   61    179.974
  56   15   18   62    179.974
  13   16   19   22    179.974
  13   16   19   59      0.026
  13   16   19   60      0.026
  53   16   19   22      0.026
  53   16   19   59    179.974
  53   16   19   60    179.974
  54   16   19   22      0.026
  54   16   19   59    179.974
  54   16   19   60    179.974
  14   17   20   23    179.974
  14   17   20   57      0.026
  14   17   20   58      0.026
  51   17   20   23      0.026
  51   17   20   57    179.974
  51   17   20   58    179.974
  52   17   20   23      0.026
  52   17   20   57    179.974
  52   17   20   58    179.974
  15   18   21   24    179.974
  15   18   21   67      0.026
  15   18   21   68      0.026
  61   18   21   24      0.026
  61   18   21   67    179.974
  61   18   21   68    179.974
  62   18   21   24      0.026
  62   18   21   67    179.974
  62   18   21   68    179.974
  16   19   22   25    179.974
  16   19   22   65      0.026
  16   19   22   66      0.026
  59   19   22   25      0.026
  59   19   22   65    179.974
  59   19   22   66    179.974
  60   19   22   25      0.026
  60   19   22   65    179.974
  60   19   22   66    179.974
  17   20   23   26    179.974
  17   20   23   63      0.026
  17   20   23   64      0.026
  57   20   23   26      0.026
  57   20   23   63    179.974
  57   20   23   64    179.974
  58   20   23   26      0.026
  58   20   23   63    179.974
  58   20   23   64    179.974
  18   21   24   75      0.026
  18   21   24   76      0.026
  18   21   24   77    179.974
  67   21   24   75    179.974
  67   21   24   76    179.974
  67   21   24   77      0.026
  68   21   24   75    179.974
  68   21   24   76    179.974
  68   21   24   77      0.026
  19   22   25   72      0.026
  19   22   25   73      0.026
  19   22   25   74    179.974
  65   22   25   72    179.974
  65   22   25   73    179.974
  65   22   25   74      0.026
  66   22   25   72    179.974
  66   22   25   73    179.974
  66   22   25   74      0.026
  20   23   26   69      0.026
  20   23   26   70      0.026
  20   23   26   71    179.974
  63   23   26   69    179.974
  63   23   26   70    179.974
  63   23   26   71      0.026
  64   23   26   69    179.974
  64   23   26   70    179.974
  64   23   26   71      0.026