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tris(2-ethylhexyl) phosphate
tris(2-ethylhexyl) phosphate ID: AN-23950
CAS:78-42-2
Supplier:AN PharmaTech Co Ltd

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SMILES:P(=O)(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC	6537
FORMULA: C24H51O4P
MASS: 434.6331
EXACT MASS: 434.3524967
INTERATOMIC DISTANCES

              P   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    1.0000     2.0000     0.0000 
   O   4    1.0000     1.4142     1.4142     0.0000 
   O   5    1.0000     1.4142     1.4142     2.0000     0.0000 
   C   6    2.6458     1.7321     3.6055     3.1196     2.5036     0.0000 
   C   7    2.6458     3.6055     1.7321     2.5036     3.1196     5.2915 
   C   8    2.6458     2.5036     3.1196     1.7321     3.6055     3.7417 
   C   9    3.4641     3.0880     4.0576     2.6458     4.3589     3.9416 
   C  10    3.4641     4.3589     2.6458     3.0880     4.0576     6.0828 
   C  11    3.4641     2.6458     4.3589     4.0576     3.0880     1.0000 
   C  12    1.7320     1.0000     2.6457     2.3941     1.5059     1.0001 
   C  13    1.7321     2.6458     1.0001     1.5060     2.3942     4.3590 
   C  14    1.7321     1.5060     2.3942     1.0001     2.6458     2.8754 
   C  15    3.0000     2.0000     4.0000     3.1623     3.1623     1.0000 
   C  16    3.0000     4.0000     2.0000     3.1623     3.1623     5.5678 
   C  17    3.0000     3.1623     3.1623     2.0000     4.0000     4.6040 
   C  18    4.3589     3.4641     5.2915     4.8439     4.0664     1.7320 
   C  19    4.3590     5.2915     3.4642     4.0665     4.8440     7.0001 
   C  20    4.3589     4.0664     4.8439     3.4641     5.2915     4.9262 
   C  21    5.1962     4.7754     5.7617     4.3590     6.0828     5.3670 
   C  22    5.1962     6.0828     4.3590     4.7754     5.7617     7.8103 
   C  23    5.1961     4.3589     6.0827     5.7616     4.7753     2.6457 
   C  24    4.0000     4.1231     4.1231     3.0000     5.0000     5.4707 
   C  25    4.0000     5.0000     3.0000     4.1231     4.1231     6.5575 
   C  26    4.0000     3.0000     5.0000     4.1231     4.1231     1.7320 
   C  27    6.0828     5.1962     7.0000     6.5724     5.7275     3.4641 
   C  28    6.0828     7.0000     5.1962     5.7275     6.5724     8.7178 
   C  29    6.0828     5.7275     6.5724     5.1962     7.0000     6.3668 
   H  30    2.6009     2.2268     3.2512     1.8397     3.4849     3.2470 
   H  31    2.6009     3.4849     1.8397     2.2268     3.2512     5.2101 
   H  32    2.6009     1.8397     3.4849     3.2512     2.2268     0.6200 
   H  33    3.1022     2.5952     3.8094     2.4060     3.9317     3.3302 
   H  34    3.8917     3.3853     4.5640     3.1512     4.7287     3.9768 
   H  35    3.1022     3.9317     2.4060     2.5952     3.8094     5.6638 
   H  36    3.8917     4.7287     3.1512     3.3853     4.5641     6.4607 
   H  37    3.1022     2.4060     3.9317     3.8094     2.5952     1.0812 
   H  38    3.8917     3.1512     4.7287     4.5640     3.3853     1.5967 
   H  39    1.4155     0.9207     2.2715     1.0812     2.1996     2.2809 
   H  40    2.1829     1.6768     2.9526     1.5968     2.9967     2.6771 
   H  41    1.4156     2.1996     1.0813     0.9207     2.2716     3.9317 
   H  42    2.1829     2.9967     1.5968     1.6768     2.9527     4.7288 
   H  43    1.4155     1.0812     2.1996     2.2715     0.9207     1.5968 
   H  44    2.1829     1.5968     2.9967     2.9526     1.6768     1.0812 
   H  45    3.1671     3.5002     3.1320     2.1943     4.1527     5.0464 
   H  46    2.4267     2.7043     2.5426     1.4332     3.4240     4.2587 
   H  47    3.1671     4.1527     2.1943     3.5002     3.1320     5.6135 
   H  48    2.4267     3.4239     1.4332     2.7042     2.5426     4.9607 
   H  49    3.1671     2.1943     4.1527     3.1320     3.5002     1.5967 
   H  50    2.4267     1.4332     3.4239     2.5426     2.7042     1.0812 
   H  51    4.8282     4.6121     5.2298     3.8918     5.7859     5.5361 
   H  52    4.0507     3.8942     4.4329     3.1022     5.0192     4.9541 
   H  53    4.8282     5.7858     3.8918     4.6120     5.2298     7.4738 
   H  54    4.0507     5.0192     3.1022     3.8942     4.4329     6.6942 
   H  55    4.8281     3.8917     5.7858     5.2297     4.6120     2.1828 
   H  56    4.0507     3.1022     5.0192     4.4329     3.8942     1.4156 
   H  57    4.8210     4.3154     5.4647     4.0507     5.6637     4.7935 
   H  58    5.6148     5.1097     6.2405     4.8282     6.4607     5.5194 
   H  59    4.8211     5.6637     4.0507     4.3154     5.4647     7.3957 
   H  60    5.6148     6.4607     4.8282     5.1097     6.2405     8.1928 
   H  61    4.8210     4.0507     5.6637     5.4647     4.3154     2.4059 
   H  62    5.6148     4.8282     6.4607     6.2405     5.1097     3.1512 
   H  63    4.0478     4.0180     4.3156     3.0634     5.0383     5.2166 
   H  64    4.6201     4.7270     4.7271     3.6201     5.6200     6.0289 
   H  65    4.0478     4.3156     4.0180     3.0635     5.0383     5.7804 
   H  66    4.0478     5.0383     3.0634     4.0180     4.3156     6.6677 
   H  67    4.6201     5.6200     3.6201     4.7270     4.7271     7.1726 
   H  68    4.0477     5.0383     3.0634     4.3156     4.0180     6.5047 
   H  69    4.0478     3.0634     5.0383     4.3156     4.0180     1.5200 
   H  70    4.6200     3.6200     5.6199     4.7270     4.7269     2.2900 
   H  71    4.0477     3.0634     5.0383     4.0180     4.3156     2.1114 
   H  72    6.3723     5.9304     6.9313     5.5323     7.2530     6.4064 
   H  73    6.6486     6.3252     7.0993     5.7415     7.5792     6.9867 
   H  74    5.8449     5.5863     6.2545     4.9156     6.7943     6.3875 
   H  75    6.3723     7.2530     5.5323     5.9304     6.9313     8.9822 
   H  76    6.6486     7.5792     5.7415     6.3252     7.0993     9.2900 
   H  77    5.8449     6.7943     4.9156     5.5863     6.2545     8.4906 
   H  78    6.3723     5.5323     7.2530     6.9313     5.9304     3.8121 
   H  79    6.6486     5.7415     7.5792     7.0993     6.3252     4.0130 
   H  80    5.8449     4.9156     6.7943     6.2545     5.5863     3.1995 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.7417     0.0000 
   C   9    4.7396     1.0000     0.0000 
   C  10    1.0000     3.9416     4.8990     0.0000 
   C  11    6.0828     4.7396     4.8990     6.9282     0.0000 
   C  12    4.3589     3.4252     3.8730     5.1961     1.7321     0.0000 
   C  13    1.0000     2.8754     3.8730     1.7320     5.1962     3.4641 
   C  14    3.4253     1.0000     1.7320     3.8730     3.8730     2.4495 
   C  15    5.5678     3.2870     3.2570     6.2450     1.7320     1.7321 
   C  16    1.0000     4.6040     5.6029     1.7320     6.2450     4.5826 
   C  17    3.2870     1.0000     1.7320     3.2570     5.6029     4.1468 
   C  18    7.0000     5.2661     5.2474     7.8102     1.0000     2.6458 
   C  19    1.7321     4.9263     5.8707     1.0001     7.8103     6.0828 
   C  20    5.2661     1.7320     1.0000     5.2474     5.8706     4.8715 
   C  21    6.2607     2.6458     1.7321     6.2450     6.2450     5.4773 
   C  22    2.6458     5.3670     6.2450     1.7321     8.6603     6.9282 
   C  23    7.8102     6.2606     6.2450     8.6602     1.7320     3.4641 
   C  24    4.0090     1.7320     2.0000     3.7608     6.4697     5.0919 
   C  25    1.7320     5.4707     6.4697     2.0000     7.2111     5.5677 
   C  26    6.5575     4.0090     3.7608     7.2111     2.0000     2.6458 
   C  27    8.7178     6.8894     6.7480     9.5394     2.6458     4.3590 
   C  28    3.4641     6.3668     7.2432     2.6458     9.5394     7.8102 
   C  29    6.8894     3.4641     2.6458     6.7480     7.2432     6.4600 
   H  30    4.1214     0.6200     0.8743     4.4267     4.2348     3.0576 
   H  31    0.6200     3.2470     4.2348     0.8743     6.0634     4.3318 
   H  32    5.2101     4.1214     4.4267     6.0634     0.8743     0.8744 
   H  33    4.7071     1.0812     0.6199     4.9914     4.2817     3.3133 
   H  34    5.3363     1.5967     0.6199     5.5168     4.8842     4.0620 
   H  35    1.0813     3.3301     4.2817     0.6200     6.5470     4.8211 
   H  36    1.5967     3.9768     4.8841     0.6200     7.3421     5.6147 
   H  37    5.6638     4.7071     4.9914     6.5469     0.6199     1.4156 
   H  38    6.4607     5.3363     5.5168     7.3421     0.6199     2.1829 
   H  39    3.5784     1.5968     2.1829     4.1586     3.2732     1.8326 
   H  40    4.0452     1.0812     1.4155     4.4783     3.6708     2.4738 
   H  41    1.5968     2.2808     3.2731     2.1829     4.8211     3.1021 
   H  42    1.0813     2.6770     3.6707     1.4156     5.6148     3.8917 
   H  43    3.9317     3.5784     4.1586     4.8210     2.1829     0.6199 
   H  44    4.7288     4.0452     4.4783     5.6148     1.4155     0.6200 
   H  45    2.9317     1.5967     2.3451     2.7571     6.0381     4.4994 
   H  46    2.7643     1.0813     2.0296     2.8709     5.2475     3.7030 
   H  47    1.5967     5.0464     6.0381     2.3451     6.2097     4.6147 
   H  48    1.0812     4.2586     5.2474     2.0295     5.6266     3.9715 
   H  49    5.6135     2.9317     2.7571     6.2097     2.3451     2.1829 
   H  50    4.9607     2.7643     2.8710     5.6266     2.0295     1.4155 
   H  51    5.4748     2.1829     1.5968     5.3438     6.4858     5.4487 
   H  52    4.7195     1.4156     1.0813     4.6533     5.9298     4.7734 
   H  53    2.1829     5.5361     6.4858     1.5968     8.2506     6.5338 
   H  54    1.4155     4.9540     5.9298     1.0812     7.4597     5.7469 
   H  55    7.4737     5.4747     5.3437     8.2505     1.5967     3.1512 
   H  56    6.6942     4.7195     4.6533     7.4597     1.0813     2.4060 
   H  57    6.1244     2.4059     1.4155     6.2075     5.6526     4.9596 
   H  58    6.8256     3.1512     2.1829     6.8423     6.3432     5.7342 
   H  59    2.4059     4.7934     5.6526     1.4156     8.2753     6.5469 
   H  60    3.1512     5.5194     6.3431     2.1829     9.0712     7.3421 
   H  61    7.3957     6.1244     6.2075     8.2753     1.4155     3.1022 
   H  62    8.1928     6.8256     6.8423     9.0712     2.1829     3.8918 
   H  63    4.4222     1.5200     1.4956     4.2717     6.2065     4.9449 
   H  64    4.5103     2.2901     2.3716     4.1642     7.0249     5.6874 
   H  65    3.6546     2.1115     2.5559     3.2875     6.7795     5.3078 
   H  66    1.5200     5.2166     6.2065     1.4956     7.3846     5.6972 
   H  67    2.2901     6.0289     7.0249     2.3716     7.8144     6.1810 
   H  68    2.1114     5.7804     6.7794     2.5558     7.0878     5.5054 
   H  69    6.6677     4.4222     4.2717     7.3846     1.4956     2.5121 
   H  70    7.1725     4.5102     4.1641     7.8143     2.3716     3.2380 
   H  71    6.5047     3.6546     3.2876     7.0878     2.5558     2.9083 
   H  72    7.3601     3.8121     2.9083     7.2706     7.2354     6.5938 
   H  73    7.3208     4.0130     3.2380     7.1128     7.8623     7.0718 
   H  74    6.4441     3.1995     2.5121     6.2433     7.3040     6.3840 
   H  75    3.8121     6.4064     7.2354     2.9083     9.8364     8.1043 
   H  76    4.0130     6.9867     7.8623     3.2380    10.0957     8.3704 
   H  77    3.1995     6.3874     7.3039     2.5121     9.2744     7.5557 
   H  78    8.9822     7.3601     7.2706     9.8364     2.9083     4.6403 
   H  79    9.2900     7.3208     7.1128    10.0957     3.2380     4.9340 
   H  80    8.4906     6.4442     6.2433     9.2744     2.5121     4.1518 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.4496     0.0000 
   C  15    4.5826     2.6084     0.0000 
   C  16    1.7320     4.1469     6.0000     0.0000 
   C  17    2.6084     1.7320     4.2427     4.2427     0.0000 
   C  18    6.0828     4.5020     2.0000     7.2111     6.1961     0.0000 
   C  19    2.6458     4.8716     7.2112     2.0000     4.1962     8.7178 
   C  20    4.5020     2.6457     4.1962     6.1961     2.0000     6.1644 
   C  21    5.4773     3.4641     4.5180     7.1826     3.0000     6.3878 
   C  22    3.4641     5.4773     7.9373     3.0000     4.5180     9.5394 
   C  23    6.9282     5.4772     2.9999     7.9372     7.1825     1.0000 
   C  24    3.4744     2.6457     5.0000     5.0000     1.0000     6.9897 
   C  25    2.6457     5.0920     7.0000     1.0000     5.0000     8.1853 
   C  26    5.5678     3.4744     1.0000     7.0000     5.0000     1.7320 
   C  27    7.8103     6.1861     3.6055     8.8882     7.8479     1.7321 
   C  28    4.3589     6.4601     8.8882     3.6055     5.5147    10.4403 
   C  29    6.1861     4.3589     5.5147     7.8479     3.6055     7.3667 
   H  30    3.1907     0.8743     2.7105     4.9176     1.6200     4.7039 
   H  31    0.8743     3.0576     5.3763     1.6200     2.7105     6.9386 
   H  32    4.3319     3.1907     1.6200     5.3763     4.9176     1.8396 
   H  33    3.7774     1.4155     2.6380     5.5035     2.0295     4.6309 
   H  34    4.4487     2.1828     3.1765     6.1807     2.3450     5.1156 
   H  35    1.4156     3.3133     5.7557     2.0296     2.6379     7.3957 
   H  36    2.1828     4.0620     6.5415     2.3451     3.1764     8.1927 
   H  37    4.8211     3.7774     2.0295     5.7557     5.5035     1.5967 
   H  38    5.6148     4.4487     2.3450     6.5415     6.1807     1.0812 
   H  39    2.5786     0.6200     2.1297     4.1800     2.3451     3.9443 
   H  40    3.0676     0.6199     2.2149     4.7565     2.0295     4.1859 
   H  41    0.6201     1.8326     4.0630     2.3452     2.1296     5.6637 
   H  42    0.6200     2.4738     4.8385     2.0296     2.2148     6.4607 
   H  43    3.1022     2.5786     2.3451     4.0630     4.1800     3.1512 
   H  44    3.8918     3.0676     2.0295     4.8385     4.7565     2.4059 
   H  45    2.4116     2.1828     4.7638     3.9200     0.6200     6.6843 
   H  46    2.0163     1.4156     4.0202     3.6900     0.6200     5.9127 
   H  47    2.1828     4.4994     6.1381     0.6200     4.7638     7.1955 
   H  48    1.4155     3.7030     5.4215     0.6200     4.0201     6.5949 
   H  49    4.6148     2.4116     0.6200     6.1381     3.9200     2.5068 
   H  50    3.9716     2.0163     0.6200     5.4215     3.6901     2.5068 
   H  51    4.7889     3.1512     4.8158     6.4367     2.1943     6.7842 
   H  52    4.0038     2.4059     4.3220     5.6689     1.4331     6.3182 
   H  53    3.1512     5.4487     7.7335     2.1944     4.8157     9.1781 
   H  54    2.4059     4.7734     6.9830     1.4332     4.3219     8.3923 
   H  55    6.5339     4.7888     2.1942     7.7334     6.4366     0.6200 
   H  56    5.7470     4.0038     1.4331     6.9830     5.6689     0.6200 
   H  57    5.2809     3.1021     3.9220     7.0074     2.9560     5.7734 
   H  58    6.0143     3.8917     4.6124     7.7316     3.5888     6.3889 
   H  59    3.1021     4.9596     7.4664     2.9561     3.9220     9.1277 
   H  60    3.8917     5.7342     8.2567     3.5889     4.6124     9.9248 
   H  61    6.5469     5.2809     2.9560     7.4664     7.0074     1.0812 
   H  62    7.3422     6.0143     3.5888     8.2567     7.7316     1.5968 
   H  63    3.7837     2.5121     4.6546     5.3948     1.1766     6.6544 
   H  64    4.0426     3.2380     5.5086     5.5086     1.6200     7.5066 
   H  65    3.2552     2.9083     5.3949     4.6545     1.1766     7.3622 
   H  66    2.5121     4.9450     7.0274     1.1766     4.6546     8.3386 
   H  67    3.2380     5.6875     7.6201     1.6200     5.5086     8.7923 
   H  68    2.9083     5.3078     7.0274     1.1766     5.3948     8.0769 
   H  69    5.6973     3.7837     1.1766     7.0274     5.3948     1.1121 
   H  70    6.1810     4.0425     1.6199     7.6200     5.5085     1.8397 
   H  71    5.5055     3.2552     1.1766     7.0274     4.6545     2.3520 
   H  72    6.6132     4.6402     5.5044     8.3015     4.0750     7.2742 
   H  73    6.6632     4.9339     6.1332     8.2941     4.0601     7.9762 
   H  74    5.7940     4.1517     5.5942     7.4183     3.1879     7.5094 
   H  75    4.6402     6.5938     9.0888     4.0750     5.5044    10.7123 
   H  76    4.9339     7.0718     9.4829     4.0601     6.1332    11.0074 
   H  77    4.1517     6.3840     8.7272     3.1879     5.5941    10.1988 
   H  78    8.1044     6.6132     4.0750     9.0888     8.3015     2.1115 
   H  79    8.3705     6.6632     4.0601     9.4829     8.2941     2.2901 
   H  80    7.5558     5.7941     3.1879     8.7272     7.4183     1.5201 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    6.1644     0.0000 
   C  21    7.1552     1.0001     0.0000 
   C  22    1.0000     6.3878     7.3485     0.0000 
   C  23    9.5394     7.1551     7.3485    10.3923     0.0000 
   C  24    4.5983     1.7320     2.6458     4.7134     7.9865     0.0000 
   C  25    1.7321     6.9897     7.9866     2.6458     8.8881     5.6569 
   C  26    8.1854     4.5982     4.7134     8.8882     2.6457     5.6569 
   C  27   10.4404     7.5982     7.6684    11.2695     1.0001     8.5898 
   C  28    1.7320     7.3667     8.3185     1.0000    11.2694     5.6759 
   C  29    7.5982     1.7321     1.0000     7.6684     8.3184     3.0000 
   H  30    5.4224     1.8396     2.6009     5.9171     5.7024     2.2901 
   H  31    1.8397     4.7039     5.7024     2.6009     7.7951     3.3972 
   H  32    6.9387     5.4223     5.9171     7.7952     2.6008     5.8299 
   H  33    5.9835     1.5967     2.1829     6.4466     5.6292     2.5068 
   H  34    6.4901     1.0812     1.4156     6.8616     6.1000     2.5068 
   H  35    1.5968     4.6308     5.6292     2.1829     8.2753     3.1734 
   H  36    1.0813     5.1156     6.1000     1.4157     9.0711     3.5219 
   H  37    7.3958     5.9834     6.4466     8.2754     2.1828     6.4169 
   H  38    8.1928     6.4900     6.8616     9.0712     1.4155     7.0630 
   H  39    5.1430     3.1512     3.8918     5.8258     4.9059     3.2657 
   H  40    5.4781     2.4059     3.1022     6.0581     5.1797     2.8113 
   H  41    3.1513     3.9442     4.9059     3.8918     6.5469     3.0625 
   H  42    2.4060     4.1858     5.1797     3.1022     7.3421     2.9920 
   H  43    5.6638     5.1429     5.8258     6.5469     3.8917     5.1602 
   H  44    6.4608     5.4780     6.0581     7.3422     3.1021     5.7077 
   H  45    3.6580     2.5068     3.4978     3.9227     7.6598     1.0813 
   H  46    3.8495     2.5068     3.4978     4.2917     6.8818     1.5967 
   H  47    2.5069     6.6843     7.6599     3.4978     7.8629     5.5601 
   H  48    2.5069     5.9126     6.8818     3.4977     7.3173     4.8564 
   H  49    7.1956     3.6579     3.9227     7.8630     3.4977     4.5984 
   H  50    6.5950     3.8495     4.2918     7.3174     3.4977     4.4936 
   H  51    6.2126     0.6201     1.0813     6.3387     7.7745     1.6278 
   H  52    5.5585     0.6200     1.5968     5.7685     7.3171     1.1266 
   H  53    0.6199     6.7842     7.7745     1.0812     9.9726     5.2106 
   H  54    0.6200     6.3181     7.3171     1.5968     9.1796     4.8411 
   H  55    9.1781     6.2125     6.3386     9.9726     1.0813     7.1742 
   H  56    8.3924     5.5584     5.7685     9.1797     1.5967     6.4327 
   H  57    7.1522     1.0812     0.6200     7.4282     6.7310     2.8113 
   H  58    7.7611     1.5968     0.6199     7.9663     7.3205     3.2657 
   H  59    1.0812     5.7733     6.7310     0.6201    10.0050     4.0941 
   H  60    1.5967     6.3889     7.3205     0.6200    10.8012     4.6751 
   H  61    9.1278     7.1521     7.4282    10.0051     0.6199     7.8564 
   H  62    9.9249     7.7610     7.9663    10.8013     0.6200     8.5554 
   H  63    5.1467     1.1121     2.0404     5.3085     7.6543     0.6200 
   H  64    4.9337     1.8397     2.6008     4.9335     8.5059     0.6201 
   H  65    4.0704     2.3521     3.2568     4.1255     8.3516     0.6201 
   H  66    1.1121     6.6544     7.6544     2.0404     9.0887     5.2369 
   H  67    1.8397     7.5066     8.5060     2.6008     9.4829     6.1110 
   H  68    2.3521     7.3621     8.3516     3.2567     8.7271     6.1110 
   H  69    8.3387     5.1466     5.3085     9.0888     2.0403     6.1110 
   H  70    8.7923     4.9335     4.9334     9.4829     2.6008     6.1110 
   H  71    8.0770     4.0704     4.1256     8.7272     3.2566     5.2368 
   H  72    8.1424     2.1115     1.1766     8.2456     8.1989     3.5505 
   H  73    7.9240     2.2901     1.6199     7.9238     8.9231     3.3533 
   H  74    7.0665     1.5201     1.1766     7.0984     8.4817     2.4825 
   H  75    2.1114     7.2742     8.1990     1.1766    11.5684     5.5553 
   H  76    2.2900     7.9762     8.9231     1.6199    11.8230     6.2785 
   H  77    1.5200     7.5093     8.4817     1.1766    10.9973     5.8599 
   H  78   10.7124     8.1423     8.2456    11.5685     1.1767     9.0747 
   H  79   11.0075     7.9239     7.9238    11.8231     1.6200     8.9994 
   H  80   10.1989     7.0665     7.0984    10.9974     1.1766     8.1233 

              C  25      C  26      C  27      C  28      C  29      H  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    8.0000     0.0000 
   C  27    9.8489     3.0000     0.0000 
   C  28    3.0000     9.8489    12.1656     0.0000 
   C  29    8.5898     5.6759     8.6024     8.6024     0.0000 
   H  30    5.8299     3.3972     6.3017     6.9150     3.5191     0.0000 
   H  31    2.2901     6.3470     8.6686     3.5191     6.3017     3.6782 
   H  32    6.3470     2.2901     3.5191     8.6686     6.9150     3.6782 
   H  33    6.4169     3.1735     6.1482     7.4463     3.1512     0.5869 
   H  34    7.0630     3.5220     6.5211     7.8591     2.4060     1.3134 
   H  35    2.5069     6.7054     9.1278     3.1512     6.1481     3.8283 
   H  36    2.5069     7.4837     9.9248     2.4060     6.5210     4.5132 
   H  37    6.7054     2.5068     3.1512     9.1278     7.4463     4.2567 
   H  38    7.4837     2.5068     2.4060     9.9248     7.8591     4.8426 
   H  39    5.1602     3.0626     5.6491     6.7894     4.8282     1.3135 
   H  40    5.7077     2.9921     5.8204     7.0465     4.0507     0.5869 
   H  41    3.2657     5.0341     7.3957     4.8282     5.6490     2.5730 
   H  42    2.8114     5.7988     8.1928     4.0507     5.8203     3.0940 
   H  43    5.0342     3.2657     4.8282     7.3957     6.7894     3.3039 
   H  44    5.7988     2.8113     4.0507     8.1928     7.0465     3.6723 
   H  45    4.5984     5.5601     8.3603     4.9159     4.0024     2.2128 
   H  46    4.4936     4.8565     7.6016     5.2910     4.1713     1.6310 
   H  47    1.0813     7.1338     8.8341     4.0024     8.3603     5.3093 
   H  48    1.5968     6.4209     8.2691     4.1713     7.6015     4.5127 
   H  49    7.1338     1.0813     4.0024     8.8341     4.9159     2.3239 
   H  50    6.4209     1.5968     4.1713     8.2691     5.2911     2.2230 
   H  51    7.1743     5.2107     8.2100     7.2951     1.4156     2.3955 
   H  52    6.4327     4.8411     7.8293     6.7468     2.1829     1.7255 
   H  53    1.6279     8.7162    10.8912     1.4155     8.2099     6.0230 
   H  54    1.1267     7.9716    10.1020     2.1829     7.8292     5.4020 
   H  55    8.7161     1.6278     1.4157    10.8911     7.2951     4.8861 
   H  56    7.9716     1.1266     2.1829    10.1021     6.7468     4.1428 
   H  57    7.8564     4.0941     7.0489     8.4142     1.5968     2.2279 
   H  58    8.5554     4.6752     7.5613     8.9375     1.0812     3.0175 
   H  59    2.8114     8.4013    10.8598     1.5968     7.0488     5.3563 
   H  60    3.2657     9.1863    11.6569     1.0813     7.5613     6.0963 
   H  61    8.4013     2.8113     1.5968    10.8598     8.4142     5.5967 
   H  62    9.1863     3.2657     1.0812    11.6569     8.9375     6.2782 
   H  63    6.1110     5.2369     8.2067     6.2785     2.4825     1.9721 
   H  64    6.1111     6.1110     9.0748     5.8599     2.7430     2.8059 
   H  65    5.2368     6.1111     8.9995     5.0773     3.5506     2.7146 
   H  66    0.6200     8.0240    10.0303     2.4825     8.2067     5.6265 
   H  67    0.6201     8.6201    10.4483     2.7430     9.0748     6.4088 
   H  68    0.6200     8.0240     9.7038     3.5505     8.9994     6.0900 
   H  69    8.0240     0.6200     2.4825    10.0303     6.2785     3.8263 
   H  70    8.6200     0.6200     2.7431    10.4482     5.8599     3.8917 
   H  71    8.0240     0.6200     3.5505     9.7038     5.0774     3.0347 
   H  72    9.0747     5.5553     8.4135     9.1884     0.6200     3.7750 
   H  73    8.9994     6.2785     9.1884     8.8308     0.6200     4.1077 
   H  74    8.1233     5.8599     8.8309     8.0214     0.6201     3.3596 
   H  75    3.5505    10.0303    12.4430     0.6200     8.4135     6.9791 
   H  76    3.3533    10.4482    12.7289     0.6200     9.1884     7.5340 
   H  77    2.4825     9.7038    11.9139     0.6200     8.8308     6.9062 
   H  78   10.0303     3.5505     0.6200    12.4430     9.1884     6.7848 
   H  79   10.4482     3.3533     0.6200    12.7289     8.8308     6.7213 
   H  80    9.7038     2.4825     0.6200    11.9139     8.0214     5.8446 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    5.2017     0.0000 
   H  33    4.2567     3.8283     0.0000 
   H  34    4.8426     4.5132     0.7970     0.0000 
   H  35    0.5870     5.6949     4.3871     4.9001     0.0000 
   H  36    1.3134     6.4880     5.0522     5.5036     0.7970     0.0000 
   H  37    5.6949     0.5869     4.3871     5.0523     6.2043     6.9930 
   H  38    6.4880     1.3134     4.9002     5.5037     6.9930     7.7834 
   H  39    3.3039     2.5731     1.7321     2.5291     3.6431     4.4216 
   H  40    3.6723     3.0941     0.9350     1.7320     3.9085     4.6427 
   H  41    1.3135     3.9764     3.1594     3.8401     1.7321     2.5291 
   H  42    0.5870     4.7660     3.6742     4.2737     0.9350     1.7320 
   H  43    3.9764     1.3135     3.6431     4.4217     4.5005     5.2822 
   H  44    4.7660     0.5869     3.9085     4.6428     5.2823     6.0680 
   H  45    2.3239     5.3093     2.6463     2.9532     2.1490     2.6116 
   H  46    2.2229     4.5128     2.1562     2.6463     2.2555     2.8965 
   H  47    2.2128     5.3566     5.8897     6.5977     2.6464     2.9532 
   H  48    1.6309     4.7588     5.0928     5.8032     2.1562     2.6463 
   H  49    5.3566     2.2128     2.1491     2.6116     5.6837     6.4521 
   H  50    4.7588     1.6309     2.2556     2.8966     5.1357     5.9216 
   H  51    4.8862     6.0230     2.2064     1.6889     4.7397     5.1412 
   H  52    4.1428     5.4021     1.6888     1.4515     4.0396     4.5040 
   H  53    2.3955     7.3765     6.5881     7.1048     2.2064     1.6889 
   H  54    1.7254     6.5854     5.9785     6.5436     1.6888     1.4515 
   H  55    7.3764     2.3954     4.7397     5.1412     7.8102     8.6057 
   H  56    6.5854     1.7255     4.0397     4.5041     7.0150     7.8102 
   H  57    5.5967     5.3564     1.7320     0.9350     5.5875     6.1236 
   H  58    6.2782     6.0964     2.5291     1.7321     6.2247     6.7101 
   H  59    2.2280     7.4196     5.8746     6.2670     1.7320     0.9350 
   H  60    3.0176     8.2144     6.5993     6.9510     2.5291     1.7321 
   H  61    7.4196     2.2279     5.5876     6.1237     7.9204     8.7121 
   H  62    8.2144     3.0175     6.2247     6.7102     8.7122     9.5049 
   H  63    3.8263     5.6265     2.0634     1.9400     3.6677     4.0794 
   H  64    3.8918     6.4088     2.9378     2.7883     3.6061     3.8528 
   H  65    3.0347     6.0901     3.0132     3.0941     2.7307     2.9891 
   H  66    1.9721     6.5122     6.2099     6.8130     2.0635     1.9401 
   H  67    2.8059     6.9531     6.9951     7.6247     2.9379     2.7884 
   H  68    2.7145     6.2393     6.6752     7.3568     3.0132     3.0941 
   H  69    6.5122     1.9721     3.6678     4.0795     6.9107     7.7004 
   H  70    6.9530     2.8059     3.6061     3.8528     7.3010     8.0749 
   H  71    6.2393     2.7145     2.7309     2.9892     6.5526     7.3134 
   H  72    6.7848     6.9791     3.3355     2.5475     6.6635     7.0699 
   H  73    6.7213     7.5340     3.7599     3.0231     6.5263     6.8427 
   H  74    5.8445     6.9063     3.0828     2.4200     5.6537     5.9861 
   H  75    3.7750     8.9717     7.4870     7.8434     3.3355     2.5476 
   H  76    4.1077     9.2230     8.0661     8.4779     3.7599     3.0232 
   H  77    3.3596     8.4005     7.4570     7.9235     3.0828     2.4200 
   H  78    8.9717     3.7750     6.6636     7.0700     9.4517    10.2476 
   H  79    9.2230     4.1077     6.5264     6.8428     9.6705    10.4671 
   H  80    8.4005     3.3596     5.6538     5.9862     8.8357     9.6312 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.7970     0.0000 
   H  39    3.1594     3.8402     0.0000 
   H  40    3.6743     4.2738     0.7971     0.0000 
   H  41    4.5005     5.2822     2.0018     2.4518     0.0000 
   H  42    5.2823     6.0680     2.7433     3.0870     0.7971     0.0000 
   H  43    1.7321     2.5291     2.0019     2.7433     2.8311     3.5920 
   H  44    0.9350     1.7320     2.4519     3.0871     3.5920     4.3658 
   H  45    5.8897     6.5977     2.7656     2.5702     2.0526     1.9116 
   H  46    5.0929     5.8033     1.9785     1.8728     1.5136     1.6830 
   H  47    5.6837     6.4521     4.4558     5.0927     2.7657     2.5703 
   H  48    5.1357     5.9216     3.6733     4.2982     1.9785     1.8728 
   H  49    2.6463     2.9532     2.0527     1.9117     4.0520     4.7942 
   H  50    2.1561     2.6462     1.5137     1.6832     3.4454     4.2190 
   H  51    6.5882     7.1049     3.6918     2.9753     4.2688     4.4079 
   H  52    5.9786     6.5437     2.9753     2.3121     3.4751     3.6447 
   H  53    7.8103     8.6058     5.6926     6.0598     3.6918     2.9753 
   H  54    7.0150     7.8102     4.9745     5.3909     2.9753     2.3121 
   H  55    2.2063     1.6888     4.2688     4.4079     6.0827     6.8774 
   H  56    1.6888     1.4515     3.4752     3.6447     5.2888     6.0828 
   H  57    5.8746     6.2670     3.4641     2.6670     4.6856     5.0471 
   H  58    6.5994     6.9510     4.2612     3.4641     5.4297     5.7446 
   H  59    7.9204     8.7121     5.3419     5.5263     3.4641     2.6670 
   H  60    8.7122     9.5049     6.1300     6.2913     4.2612     3.4641 
   H  61    1.7320     0.9350     4.6857     5.0472     6.2042     6.9930 
   H  62    2.5291     1.7321     5.4298     5.7446     6.9930     7.7835 
   H  63    6.2099     6.8130     3.1165     2.5411     3.3016     3.3659 
   H  64    6.9951     7.6247     3.8564     3.3548     3.6588     3.5307 
   H  65    6.6752     7.3569     3.5194     3.1811     2.9370     2.7097 
   H  66    6.9107     7.7004     5.0867     5.5650     3.1165     2.5411 
   H  67    7.3011     8.0750     5.7715     6.3050     3.8565     3.3548 
   H  68    6.5526     7.3134     5.3056     5.9123     3.5194     3.1811 
   H  69    2.0634     1.9400     3.3017     3.3660     5.2023     5.9868 
   H  70    2.9378     2.7883     3.6588     3.5307     5.6413     6.4003 
   H  71    3.0131     3.0940     2.9371     2.7098     4.9386     5.6727 
   H  72    7.4870     7.8434     5.0577     4.2642     6.0543     6.2829 
   H  73    8.0661     8.4779     5.4201     4.6496     6.1464     6.2649 
   H  74    7.4571     7.9236     4.6702     3.9245     5.2855     5.3893 
   H  75    9.4517    10.2476     6.9688     7.1601     5.0577     4.2642 
   H  76    9.6705    10.4671     7.3916     7.6608     5.4201     4.6496 
   H  77    8.8357     9.6312     6.6630     6.9864     4.6702     3.9245 
   H  78    3.3355     2.5475     6.0544     6.2830     7.7227     8.5182 
   H  79    3.7599     3.0231     6.1465     6.2650     7.9397     8.7361 
   H  80    3.0828     2.4199     5.2856     5.3894     7.1079     7.9028 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.7971     0.0000 
   H  45    4.4558     5.0927     0.0000 
   H  46    3.6734     4.2982     0.7970     0.0000 
   H  47    4.0521     4.7942     4.4789     4.1896     0.0000 
   H  48    3.4454     4.2190     3.7795     3.4318     0.7971     0.0000 
   H  49    2.7656     2.5702     4.4789     3.7796     6.3341     5.5859 
   H  50    1.9784     1.8727     4.1896     3.4319     5.5859     4.8533 
   H  51    5.6927     6.0599     2.5913     2.7728     6.9559     6.2042 
   H  52    4.9746     5.3909     1.9015     1.9884     6.1775     5.4193 
   H  53    6.0828     6.8775     4.2776     4.4617     2.5914     2.7728 
   H  54    5.2888     6.0828     3.8359     3.9017     1.9015     1.9884 
   H  55    3.6917     2.9752     6.9558     6.2042     7.7438     7.1211 
   H  56    2.9753     2.3121     6.1775     5.4194     7.0186     6.3749 
   H  57    5.3420     5.5264     3.5152     3.3739     7.4513     6.6617 
   H  58    6.1300     6.2914     4.1032     4.0619     8.1930     7.4082 
   H  59    6.2042     6.9930     3.3201     3.7260     3.5153     3.3739 
   H  60    6.9930     7.7835     3.9983     4.4662     4.1033     4.0619 
   H  61    3.4641     2.6670     7.4513     6.6618     7.3613     6.8468 
   H  62    4.2612     3.4641     8.1930     7.4083     8.1410     7.6375 
   H  63    5.0867     5.5650     1.5201     1.7880     5.9290     5.1929 
   H  64    5.7715     6.3050     1.6310     2.2128     6.0842     5.4030 
   H  65    5.3057     5.9124     0.8924     1.6343     5.2389     4.5795 
   H  66    5.2023     5.9868     4.2044     4.1927     1.5201     1.7880 
   H  67    5.6414     6.4004     5.0728     5.0273     1.6310     2.2129 
   H  68    4.9387     5.6727     5.0382     4.8553     0.8924     1.6343 
   H  69    3.1165     2.5411     5.9290     5.1930     7.1077     6.4303 
   H  70    3.8563     3.3547     6.0841     5.4030     7.7517     7.0405 
   H  71    3.5193     3.1810     5.2389     4.5796     7.2134     6.4711 
   H  72    6.9688     7.1601     4.5147     4.6118     8.7951     8.0241 
   H  73    7.3916     7.6608     4.4011     4.6482     8.8236     8.0777 
   H  74    6.6630     6.9864     3.5249     3.7814     7.9501     7.2074 
   H  75    7.7227     8.5182     4.8907     5.3482     4.5147     4.6117 
   H  76    7.9397     8.7361     5.5329     5.9106     4.4011     4.6482 
   H  77    7.1080     7.9028     5.0182     5.3061     3.5249     3.7814 
   H  78    5.0577     4.2642     8.7951     8.0242     8.9939     8.4689 
   H  79    5.4201     4.6496     8.8236     8.0778     9.4392     8.8645 
   H  80    4.6702     3.9245     7.9501     7.2076     8.7156     8.1120 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.7971     0.0000 
   H  51    4.2776     4.4618     0.0000 
   H  52    3.8360     3.9019     0.7971     0.0000 
   H  53    7.7439     7.1212     6.8280     6.1777     0.0000 
   H  54    7.0186     6.3749     6.4244     5.7285     0.7971     0.0000 
   H  55    2.5912     2.7727     6.8280     6.4244     9.6562     8.8770 
   H  56    1.9015     1.9884     6.1778     5.7285     8.8771     8.1014 
   H  57    3.3202     3.7261     1.4515     1.6888     7.7717     7.2622 
   H  58    3.9984     4.4663     1.6888     2.2064     8.3808     7.9106 
   H  59    7.3613     6.8468     5.7189     5.1537     1.4515     1.6888 
   H  60    8.1410     7.6375     6.2798     5.7697     1.6888     2.2064 
   H  61    3.5152     3.3739     7.7718     7.2622     9.5394     8.7435 
   H  62    4.1032     4.0618     8.3808     7.9106    10.3355     9.5394 
   H  63    4.2044     4.1928     1.0721     0.5129     5.7634     5.3522 
   H  64    5.0728     5.0274     1.5204     1.3368     5.5327     5.2336 
   H  65    5.0383     4.8554     2.2179     1.7448     4.6746     4.3582 
   H  66    7.1077     6.4303     6.7951     6.0776     1.0722     0.5130 
   H  67    7.7518     7.0406     7.6616     6.9365     1.5205     1.3369 
   H  68    7.2134     6.4711     7.5853     6.8257     2.2179     1.7448 
   H  69    1.5201     1.7880     5.7635     5.3523     8.8454     8.0822 
   H  70    1.6309     2.2128     5.5327     5.2336     9.3273     8.5858 
   H  71    0.8924     1.6343     4.6748     4.3583     8.6297     7.9082 
   H  72    4.8907     5.3483     1.9300     2.6421     8.7573     8.3504 
   H  73    5.5329     5.9107     1.8777     2.6726     8.5277     8.1921 
   H  74    5.0183     5.3063     1.0254     1.8217     7.6735     7.3234 
   H  75    8.9939     8.4689     7.1514     6.6557     1.9300     2.6420 
   H  76    9.4392     8.8645     7.8935     7.3562     1.8777     2.6726 
   H  77    8.7156     8.1120     7.4876     6.8926     1.0254     1.8217 
   H  78    4.5147     4.6117     8.7574     8.3505    11.1405    10.3464 
   H  79    4.4011     4.6482     8.5278     8.1922    11.4676    10.6809 
   H  80    3.5249     3.7814     7.6736     7.3236    10.6722     9.8906 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    0.7970     0.0000 
   H  57    5.7189     5.1537     0.0000 
   H  58    6.2798     5.7698     0.7971     0.0000 
   H  59    9.5393     8.7435     6.8179     7.3492     0.0000 
   H  60   10.3354     9.5394     7.4515     7.9405     0.7971     0.0000 
   H  61    1.4515     1.6888     6.8180     7.4516     9.6421    10.4356 
   H  62    1.6889     2.2064     7.3493     7.9406    10.4356    11.2296 
   H  63    6.7950     6.0776     2.1917     2.6590     4.6907     5.2872 
   H  64    7.6615     6.9365     2.8966     3.2086     4.3153     4.8190 
   H  65    7.5853     6.8258     3.4311     3.8766     3.5054     4.0654 
   H  66    8.8454     8.0822     7.5664     8.2381     2.1918     2.6591 
   H  67    9.3273     8.5860     8.3996     9.0840     2.8967     3.2087 
   H  68    8.6296     7.9083     8.1832     8.9046     3.4311     3.8766 
   H  69    1.0721     0.5129     4.6908     5.2872     8.6285     9.4208 
   H  70    1.5204     1.3368     4.3153     4.8190     8.9879     9.7696 
   H  71    2.2178     1.7447     3.5055     4.0655     8.2147     8.9885 
   H  72    7.1514     6.6557     1.6344     0.8924     7.6256     8.1543 
   H  73    7.8935     7.3562     2.2128     1.6309     7.3079     7.7716 
   H  74    7.4876     6.8927     1.7880     1.5201     6.4800     6.9729 
   H  75   11.1404    10.3464     8.3395     8.8188     1.6344     0.8924 
   H  76   11.4675    10.6809     9.0270     9.5426     2.2128     1.6310 
   H  77   10.6722     9.8906     8.5334     9.0970     1.7880     1.5201 
   H  78    1.9301     2.6421     7.6256     8.1543    11.1815    11.9778 
   H  79    1.8778     2.6726     7.3080     7.7717    11.4016    12.1984 
   H  80    1.0255     1.8217     6.4802     6.9731    10.5648    11.3608 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    0.7971     0.0000 
   H  63    7.5664     8.2381     0.0000 
   H  64    8.3996     9.0840     0.8768     0.0000 
   H  65    8.1833     8.9047     1.2400     0.8769     0.0000 
   H  66    8.6285     9.4208     5.7244     5.6569     4.7801     0.0000 
   H  67    8.9880     9.7697     6.5922     6.5337     5.6569     0.8768 
   H  68    8.2147     8.9885     6.5336     6.5923     5.7244     1.2399 
   H  69    2.1917     2.6590     5.7244     6.5922     6.5337     8.0956 
   H  70    2.8966     3.2087     5.6569     6.5336     6.5923     8.6422 
   H  71    3.4310     3.8765     4.7801     5.6569     5.7245     8.0000 
   H  72    8.3395     8.8188     3.0000     3.3362     4.1208     8.7130 
   H  73    9.0270     9.5426     2.8995     2.9999     3.8536     8.5898 
   H  74    8.5334     9.0970     2.0235     2.1649     3.0000     7.7170 
   H  75   11.1815    11.9778     6.1698     5.6759     4.9422     3.0000 
   H  76   11.4016    12.1984     6.8842     6.4454     5.6758     2.8995 
   H  77   10.5648    11.3608     6.4453     6.1017     5.2822     2.0235 
   H  78    1.6344     0.8924     8.7130     9.5753     9.4634    10.2460 
   H  79    2.2128     1.6309     8.5898     9.4634     9.4320    10.6193 
   H  80    1.7880     1.5200     7.7170     8.5899     8.5553     9.8489 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    0.8769     0.0000 
   H  69    8.6423     8.0000     0.0000 
   H  70    9.2400     8.6422     0.8768     0.0000 
   H  71    8.6423     8.0955     1.2399     0.8768     0.0000 
   H  72    9.5753     9.4633     6.1698     5.6759     4.9423     0.0000 
   H  73    9.4634     9.4319     6.8842     6.4453     5.6759     0.8768 
   H  74    8.5898     8.5552     6.4454     6.1017     5.2824     1.2400 
   H  75    3.3362     4.1208    10.2460    10.6193     9.8489     9.0118 
   H  76    2.9999     3.8536    10.6193    11.0497    10.3115     9.7786 
   H  77    2.1650     3.0000     9.8489    10.3115     9.5966     9.4026 
   H  78   10.6194     9.8489     3.0000     3.3362     4.1208     9.0118 
   H  79   11.0498    10.3115     2.8995     3.0000     3.8536     8.6024 
   H  80   10.3116     9.5966     2.0235     2.1651     3.0000     7.8186 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    0.8768     0.0000 
   H  75    8.6024     7.8185     0.0000 
   H  76    9.4026     8.6023     0.8768     0.0000 
   H  77    9.0958     8.2659     1.2399     0.8768     0.0000 
   H  78    9.7786     9.4027    12.7446    12.9943    12.1656     0.0000 
   H  79    9.4026     9.0959    12.9943    13.2973    12.4886     0.8768 
   H  80    8.6024     8.2660    12.1656    12.4886    11.6898     1.2399 

              H  79      H  80
              ----------------------
   H  79    0.0000 
   H  80    0.8768     0.0000 



ATOMIC CHARGES
   P   1    0.4774977656
   O   2   -0.2862579196
   O   3   -0.2862579196
   O   4   -0.2862579196
   O   5   -0.2271261960
   C   6   -0.0172374466
   C   7   -0.0172374466
   C   8   -0.0172374466
   C   9   -0.0481275551
   C  10   -0.0481275551
   C  11   -0.0481275551
   C  12    0.0618923860
   C  13    0.0618923860
   C  14    0.0618923860
   C  15   -0.0509633502
   C  16   -0.0509633502
   C  17   -0.0509633502
   C  18   -0.0529842520
   C  19   -0.0529842520
   C  20   -0.0529842520
   C  21   -0.0559014866
   C  22   -0.0559014866
   C  23   -0.0559014866
   C  24   -0.0649542426
   C  25   -0.0649542426
   C  26   -0.0649542426
   C  27   -0.0652761637
   C  28   -0.0652761637
   C  29   -0.0652761637
   H  30    0.0322936869
   H  31    0.0322936869
   H  32    0.0322936869
   H  33    0.0268643776
   H  34    0.0268643776
   H  35    0.0268643776
   H  36    0.0268643776
   H  37    0.0268643776
   H  38    0.0268643776
   H  39    0.0568240646
   H  40    0.0568240646
   H  41    0.0568240646
   H  42    0.0568240646
   H  43    0.0568240646
   H  44    0.0568240646
   H  45    0.0266004493
   H  46    0.0266004493
   H  47    0.0266004493
   H  48    0.0266004493
   H  49    0.0266004493
   H  50    0.0266004493
   H  51    0.0265294185
   H  52    0.0265294185
   H  53    0.0265294185
   H  54    0.0265294185
   H  55    0.0265294185
   H  56    0.0265294185
   H  57    0.0262647525
   H  58    0.0262647525
   H  59    0.0262647525
   H  60    0.0262647525
   H  61    0.0262647525
   H  62    0.0262647525
   H  63    0.0229868304
   H  64    0.0229868304
   H  65    0.0229868304
   H  66    0.0229868304
   H  67    0.0229868304
   H  68    0.0229868304
   H  69    0.0229868304
   H  70    0.0229868304
   H  71    0.0229868304
   H  72    0.0229775125
   H  73    0.0229775125
   H  74    0.0229775125
   H  75    0.0229775125
   H  76    0.0229775125
   H  77    0.0229775125
   H  78    0.0229775125
   H  79    0.0229775125
   H  80    0.0229775125


BOND ANGLES
   2    1    3   O3    P   O3    179.974
   2    1    4   O3    P   O3     90.000
   2    1    5   O3    P   O2     90.000
   3    1    4   O3    P   O3     90.000
   3    1    5   O3    P   O2     90.000
   4    1    5   O3    P   O2    179.974
   1    2   12    P   O3   C3    119.999
   1    3   13    P   O3   C3    120.001
   1    4   14    P   O3   C3    120.001
  11    6   12   C3   C3   C3    120.001
  11    6   15   C3   C3   C3    120.001
  11    6   32   C3   C3   HC     59.999
  12    6   15   C3   C3   C3    119.998
  12    6   32   C3   C3   HC     60.002
  15    6   32   C3   C3   HC    179.974
  10    7   13   C3   C3   C3    119.999
  10    7   16   C3   C3   C3    120.001
  10    7   31   C3   C3   HC     59.999
  13    7   16   C3   C3   C3    120.001
  13    7   31   C3   C3   HC     59.999
  16    7   31   C3   C3   HC    179.974
   9    8   14   C3   C3   C3    119.999
   9    8   17   C3   C3   C3    120.001
   9    8   30   C3   C3   HC     59.999
  14    8   17   C3   C3   C3    120.001
  14    8   30   C3   C3   HC     59.999
  17    8   30   C3   C3   HC    179.974
   8    9   20   C3   C3   C3    119.999
   8    9   33   C3   C3   HC     80.000
   8    9   34   C3   C3   HC    160.002
  20    9   33   C3   C3   HC    160.002
  20    9   34   C3   C3   HC     80.000
  33    9   34   HC   C3   HC     80.002
   7   10   19   C3   C3   C3    120.001
   7   10   35   C3   C3   HC     80.006
   7   10   36   C3   C3   HC    159.996
  19   10   35   C3   C3   HC    159.993
  19   10   36   C3   C3   HC     80.003
  35   10   36   HC   C3   HC     79.990
   6   11   18   C3   C3   C3    119.999
   6   11   37   C3   C3   HC     80.000
   6   11   38   C3   C3   HC    160.002
  18   11   37   C3   C3   HC    160.002
  18   11   38   C3   C3   HC     80.000
  37   11   38   HC   C3   HC     80.002
   2   12    6   O3   C3   C3    120.001
   2   12   43   O3   C3   HC     80.000
   2   12   44   O3   C3   HC    160.009
   6   12   43   C3   C3   HC    159.999
   6   12   44   C3   C3   HC     79.990
  43   12   44   HC   C3   HC     80.009
   3   13    7   O3   C3   C3    120.001
   3   13   41   O3   C3   HC     79.996
   3   13   42   O3   C3   HC    159.993
   7   13   41   C3   C3   HC    160.003
   7   13   42   C3   C3   HC     80.006
  41   13   42   HC   C3   HC     79.997
   4   14    8   O3   C3   C3    120.001
   4   14   39   O3   C3   HC     79.990
   4   14   40   O3   C3   HC    159.999
   8   14   39   C3   C3   HC    160.009
   8   14   40   C3   C3   HC     80.000
  39   14   40   HC   C3   HC     80.009
   6   15   26   C3   C3   C3    120.001
   6   15   49   C3   C3   HC    159.996
   6   15   50   C3   C3   HC     79.997
  26   15   49   C3   C3   HC     80.004
  26   15   50   C3   C3   HC    160.002
  49   15   50   HC   C3   HC     79.999
   7   16   25   C3   C3   C3    120.001
   7   16   47   C3   C3   HC    159.996
   7   16   48   C3   C3   HC     79.997
  25   16   47   C3   C3   HC     80.004
  25   16   48   C3   C3   HC    160.002
  47   16   48   HC   C3   HC     79.999
   8   17   24   C3   C3   C3    120.001
   8   17   45   C3   C3   HC    159.996
   8   17   46   C3   C3   HC     80.006
  24   17   45   C3   C3   HC     80.004
  24   17   46   C3   C3   HC    159.993
  45   17   46   HC   C3   HC     79.990
  11   18   23   C3   C3   C3    119.999
  11   18   55   C3   C3   HC    159.996
  11   18   56   C3   C3   HC     80.006
  23   18   55   C3   C3   HC     80.006
  23   18   56   C3   C3   HC    159.996
  55   18   56   HC   C3   HC     79.990
  10   19   22   C3   C3   C3    120.001
  10   19   53   C3   C3   HC    159.999
  10   19   54   C3   C3   HC     79.990
  22   19   53   C3   C3   HC     80.000
  22   19   54   C3   C3   HC    160.009
  53   19   54   HC   C3   HC     80.009
   9   20   21   C3   C3   C3    120.001
   9   20   51   C3   C3   HC    160.003
   9   20   52   C3   C3   HC     80.006
  21   20   51   C3   C3   HC     79.996
  21   20   52   C3   C3   HC    159.993
  51   20   52   HC   C3   HC     79.997
  20   21   29   C3   C3   C3    120.001
  20   21   57   C3   C3   HC     79.990
  20   21   58   C3   C3   HC    159.999
  29   21   57   C3   C3   HC    160.009
  29   21   58   C3   C3   HC     80.000
  57   21   58   HC   C3   HC     80.009
  19   22   28   C3   C3   C3    119.999
  19   22   59   C3   C3   HC     79.999
  19   22   60   C3   C3   HC    159.996
  28   22   59   C3   C3   HC    160.003
  28   22   60   C3   C3   HC     80.006
  59   22   60   HC   C3   HC     79.997
  18   23   27   C3   C3   C3    120.001
  18   23   61   C3   C3   HC     80.000
  18   23   62   C3   C3   HC    160.009
  27   23   61   C3   C3   HC    159.999
  27   23   62   C3   C3   HC     79.990
  61   23   62   HC   C3   HC     80.009
  17   24   63   C3   C3   HC     90.001
  17   24   64   C3   C3   HC    179.974
  17   24   65   C3   C3   HC     90.004
  63   24   64   HC   C3   HC     89.995
  63   24   65   HC   C3   HC    179.974
  64   24   65   HC   C3   HC     90.000
  16   25   66   C3   C3   HC     90.001
  16   25   67   C3   C3   HC    179.974
  16   25   68   C3   C3   HC     89.999
  66   25   67   HC   C3   HC     89.995
  66   25   68   HC   C3   HC    179.974
  67   25   68   HC   C3   HC     90.005
  15   26   69   C3   C3   HC     90.001
  15   26   70   C3   C3   HC    179.974
  15   26   71   C3   C3   HC     89.999
  69   26   70   HC   C3   HC     90.000
  69   26   71   HC   C3   HC    179.974
  70   26   71   HC   C3   HC     90.000
  23   27   78   C3   C3   HC     90.004
  23   27   79   C3   C3   HC    179.974
  23   27   80   C3   C3   HC     89.996
  78   27   79   HC   C3   HC     90.000
  78   27   80   HC   C3   HC    179.974
  79   27   80   HC   C3   HC     90.000
  22   28   75   C3   C3   HC     90.001
  22   28   76   C3   C3   HC    179.974
  22   28   77   C3   C3   HC     89.999
  75   28   76   HC   C3   HC     90.000
  75   28   77   HC   C3   HC    179.974
  76   28   77   HC   C3   HC     90.000
  21   29   72   C3   C3   HC     90.001
  21   29   73   C3   C3   HC    179.974
  21   29   74   C3   C3   HC     90.004
  72   29   73   HC   C3   HC     90.000
  72   29   74   HC   C3   HC    179.974
  73   29   74   HC   C3   HC     89.995


TORSION ANGLES
   3    1    2   12    179.974
   4    1    2   12    179.974
   5    1    2   12      0.026
   2    1    3   13      0.026
   4    1    3   13      0.026
   5    1    3   13    179.974
   2    1    4   14      0.026
   3    1    4   14    179.974
   5    1    4   14    179.974
   1    2   12    6    179.974
   1    2   12   43      0.026
   1    2   12   44      0.026
   1    3   13    7    179.974
   1    3   13   41      0.026
   1    3   13   42      0.026
   1    4   14    8    179.974
   1    4   14   39      0.026
   1    4   14   40      0.026
  12    6   11   18    179.974
  12    6   11   37      0.026
  12    6   11   38      0.026
  15    6   11   18      0.026
  15    6   11   37    179.974
  15    6   11   38    179.974
  32    6   11   18    179.974
  32    6   11   37      0.026
  32    6   11   38      0.026
  11    6   12    2    179.974
  11    6   12   43      0.026
  11    6   12   44      0.026
  15    6   12    2      0.026
  15    6   12   43    179.974
  15    6   12   44    179.974
  32    6   12    2    179.974
  32    6   12   43      0.026
  32    6   12   44      0.026
  11    6   15   26      0.026
  11    6   15   49    179.974
  11    6   15   50    179.974
  12    6   15   26    179.974
  12    6   15   49      0.026
  12    6   15   50      0.026
  32    6   15   26    180.000
  32    6   15   49    180.000
  32    6   15   50    180.000
  13    7   10   19    179.974
  13    7   10   35      0.026
  13    7   10   36      0.026
  16    7   10   19      0.026
  16    7   10   35    179.974
  16    7   10   36    179.974
  31    7   10   19    179.974
  31    7   10   35      0.026
  31    7   10   36      0.026
  10    7   13    3    179.974
  10    7   13   41      0.026
  10    7   13   42      0.026
  16    7   13    3      0.026
  16    7   13   41    179.974
  16    7   13   42    179.974
  31    7   13    3    179.974
  31    7   13   41      0.026
  31    7   13   42      0.026
  10    7   16   25      0.026
  10    7   16   47    179.974
  10    7   16   48    179.974
  13    7   16   25    179.974
  13    7   16   47      0.026
  13    7   16   48      0.026
  31    7   16   25    180.000
  31    7   16   47    180.000
  31    7   16   48    180.000
  14    8    9   20    179.974
  14    8    9   33      0.026
  14    8    9   34      0.026
  17    8    9   20      0.026
  17    8    9   33    179.974
  17    8    9   34    179.974
  30    8    9   20    179.974
  30    8    9   33      0.026
  30    8    9   34      0.026
   9    8   14    4    179.974
   9    8   14   39      0.026
   9    8   14   40      0.026
  17    8   14    4      0.026
  17    8   14   39    179.974
  17    8   14   40    179.974
  30    8   14    4    179.974
  30    8   14   39      0.026
  30    8   14   40      0.026
   9    8   17   24      0.026
   9    8   17   45    179.974
   9    8   17   46    179.974
  14    8   17   24    179.974
  14    8   17   45      0.026
  14    8   17   46      0.026
  30    8   17   24    180.000
  30    8   17   45    180.000
  30    8   17   46    180.000
   8    9   20   21    179.974
   8    9   20   51      0.026
   8    9   20   52      0.026
  33    9   20   21      0.026
  33    9   20   51    179.974
  33    9   20   52    179.974
  34    9   20   21      0.026
  34    9   20   51    179.974
  34    9   20   52    179.974
   7   10   19   22    179.974
   7   10   19   53      0.026
   7   10   19   54      0.026
  35   10   19   22      0.026
  35   10   19   53    179.974
  35   10   19   54    179.974
  36   10   19   22      0.026
  36   10   19   53    179.974
  36   10   19   54    179.974
   6   11   18   23    179.974
   6   11   18   55      0.026
   6   11   18   56      0.026
  37   11   18   23      0.026
  37   11   18   55    179.974
  37   11   18   56    179.974
  38   11   18   23      0.026
  38   11   18   55    179.974
  38   11   18   56    179.974
   6   15   26   69      0.026
   6   15   26   70    179.974
   6   15   26   71    179.974
  49   15   26   69    179.974
  49   15   26   70      0.026
  49   15   26   71      0.026
  50   15   26   69    179.974
  50   15   26   70      0.026
  50   15   26   71      0.026
   7   16   25   66      0.026
   7   16   25   67      0.026
   7   16   25   68    179.974
  47   16   25   66    179.974
  47   16   25   67    179.974
  47   16   25   68      0.026
  48   16   25   66    179.974
  48   16   25   67    179.974
  48   16   25   68      0.026
   8   17   24   63      0.026
   8   17   24   64      0.026
   8   17   24   65    179.974
  45   17   24   63    179.974
  45   17   24   64    179.974
  45   17   24   65      0.026
  46   17   24   63    179.974
  46   17   24   64    179.974
  46   17   24   65      0.026
  11   18   23   27    179.974
  11   18   23   61      0.026
  11   18   23   62      0.026
  55   18   23   27      0.026
  55   18   23   61    179.974
  55   18   23   62    179.974
  56   18   23   27      0.026
  56   18   23   61    179.974
  56   18   23   62    179.974
  10   19   22   28    179.974
  10   19   22   59      0.026
  10   19   22   60      0.026
  53   19   22   28      0.026
  53   19   22   59    179.974
  53   19   22   60    179.974
  54   19   22   28      0.026
  54   19   22   59    179.974
  54   19   22   60    179.974
   9   20   21   29    179.974
   9   20   21   57      0.026
   9   20   21   58      0.026
  51   20   21   29      0.026
  51   20   21   57    179.974
  51   20   21   58    179.974
  52   20   21   29      0.026
  52   20   21   57    179.974
  52   20   21   58    179.974
  20   21   29   72    179.974
  20   21   29   73      0.026
  20   21   29   74      0.026
  57   21   29   72      0.026
  57   21   29   73    179.974
  57   21   29   74    179.974
  58   21   29   72      0.026
  58   21   29   73    179.974
  58   21   29   74    179.974
  19   22   28   75    179.974
  19   22   28   76      0.026
  19   22   28   77      0.026
  59   22   28   75      0.026
  59   22   28   76    179.974
  59   22   28   77    179.974
  60   22   28   75      0.026
  60   22   28   76    179.974
  60   22   28   77    179.974
  18   23   27   78    179.974
  18   23   27   79      0.026
  18   23   27   80      0.026
  61   23   27   78      0.026
  61   23   27   79    179.974
  61   23   27   80    179.974
  62   23   27   78      0.026
  62   23   27   79    179.974
  62   23   27   80    179.974


CHIRAL ATOMS
  62   23   27   80    179.974
  62   23   27   80    179.974
  62   23   27   80    179.974