Sign In Join Free

Products Information

[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone ID: AN-31136
CAS:162881-26-7
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:P(=O)(C(=O)c1c(cc(cc1C)C)C)(C(=O)c1c(cc(cc1C)C)C)c1ccccc1	164512
FORMULA: C26H27O3P
MASS: 418.4645
EXACT MASS: 418.1697814
INTERATOMIC DISTANCES

              P   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   O   2    1.0001     0.0000 
   O   3    1.7320     2.6458     0.0000 
   O   4    1.9696     2.3587     3.0353     0.0000 
   C   5    1.0000     2.0000     1.0000     2.0483     0.0000 
   C   6    1.0000     1.4142     2.3941     1.0000     1.4142     0.0000 
   C   7    1.7320     1.5059     3.3460     1.2855     2.3941     1.0000 
   C   8    1.9697     2.9596     1.2855     2.2596     1.0000     2.0483 
   C   9    1.0000     1.4143     1.5059     2.9595     1.4142     2.0000 
   C  10    2.7224     3.7180     1.3317     3.2568     1.7321     3.0021 
   C  11    2.6457     2.5035     4.1143     1.3316     3.1196     1.7320 
   C  12    2.4953     3.3843     2.2770     1.8744     1.7320     2.1385 
   C  13    2.0000     1.2392     3.7320     2.2770     2.9093     1.7320 
   C  14    3.9545     4.9271     2.9930     3.5951     3.0000     3.8192 
   C  15    3.6055     2.9670     5.3032     2.9930     4.3813     3.0000 
   C  16    3.6456     4.6456     2.3294     3.8101     2.6457     3.7694 
   C  17    3.4641     3.0879     5.0390     2.3293     4.0576     2.6457 
   C  18    3.4793     4.3832     2.9727     2.7246     2.6457     3.1254 
   C  19    3.0000     2.1917     4.7320     2.9727     3.8982     2.6457 
   C  20    1.7321     1.5061     2.4495     3.6457     2.3942     2.6458 
   C  21    1.7320     2.3942     0.8965     3.4794     1.5060     2.6457 
   C  22    3.0000     3.1623     4.1468     1.1141     3.1623     2.0000 
   C  23    2.8397     3.7588     1.1141     3.8986     2.0000     3.4110 
   C  24    1.7320     0.7320     3.3460     2.8397     2.7320     2.0000 
   C  25    2.3863     3.0642     2.8398     1.0057     2.0000     1.6599 
   C  26    2.6458     2.5036     2.8754     4.6011     3.1196     3.6055 
   C  27    2.6458     3.1197     1.7527     4.4706     2.5036     3.6056 
   C  28    4.9515     5.9191     3.9510     4.4536     4.0000     4.7730 
   C  29    4.5826     3.8822     6.2919     3.9510     5.3785     4.0000 
   C  30    3.0000     3.1623     2.6084     4.9515     3.1623     4.0000 
   H  31    4.0130     3.6932     5.5290     2.6693     4.5352     3.1408 
   H  32    4.1358     5.1329     2.6693     4.4218     3.1408     4.3382 
   H  33    3.3533     2.4442     5.0705     3.5569     4.3028     3.1407 
   H  34    3.8969     4.7443     3.5569     2.8392     3.1408     3.4099 
   H  35    1.8397     1.2564     2.9210     3.5833     2.6815     2.6009 
   H  36    1.8397     2.6816     0.3382     3.3047     1.2564     2.6008 
   H  37    2.2538     3.1501     0.5244     3.4949     1.4956     2.9044 
   H  38    3.0779     3.9144     1.3842     4.3647     2.3716     3.7770 
   H  39    3.4376     4.3707     1.7252     4.3534     2.5558     3.9501 
   H  40    2.4825     2.7898     3.5354     0.5244     2.5579     1.4956 
   H  41    3.3533     3.6494     4.2856     1.3841     3.3422     2.3716 
   H  42    3.5506     3.6036     4.7605     1.7252     3.7718     2.5559 
   H  43    3.0039     3.6763     3.3196     1.4918     2.5557     2.2659 
   H  44    2.5237     3.0189     3.2945     0.6817     2.3716     1.6226 
   H  45    1.7704     2.4560     2.4242     0.7525     1.4955     1.0700 
   H  46    2.3521     1.3520     3.9482     3.3197     3.3521     2.5558 
   H  47    1.8397     0.9593     3.2414     3.2945     2.8015     2.3716 
   H  48    1.1121     0.1120     2.7519     2.4241     2.1120     1.4955 
   H  49    3.1408     2.8388     3.4937     5.0601     3.6973     4.0601 
   H  50    3.1408     3.6974     1.9465     4.8668     2.8388     4.0601 
   H  51    5.0325     6.0224     3.8437     4.7707     4.0478     4.9755 
   H  52    5.5703     6.5354     4.5542     5.0124     4.6201     5.3729 
   H  53    4.9475     5.8797     4.1492     4.2048     4.0477     4.6450 
   H  54    4.7390     4.1412     6.4067     3.8437     5.4558     4.0478 
   H  55    5.1927     4.4678     6.9065     4.5541     5.9972     4.6200 
   H  56    4.5067     3.7097     6.2369     4.1492     5.3720     4.0478 
   H  57    3.6200     3.7556     3.1360     5.5702     3.7556     4.6200 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0354     0.0000 
   C   9    2.6457     2.3587     0.0000 
   C  10    4.0000     0.9999     2.7946     0.0000 
   C  11    1.0000     3.5397     3.6055     4.5389     0.0000 
   C  12    2.9844     1.0000     3.1432     1.7320     3.2020     0.0000 
   C  13    1.0000     3.7303     2.6457     4.6245     1.7320     3.8592 
   C  14    4.7090     2.0000     4.3232     1.7320     4.9115     1.7321 
   C  15    2.0000     5.0248     4.3589     5.9979     1.7320     4.8553 
   C  16    4.7414     1.7320     3.7912     1.0000     5.1380     2.0000 
   C  17    1.7320     4.5329     4.3589     5.5307     1.0000     4.1936 
   C  18    3.9227     1.7320     4.0550     1.9999     4.0062     1.0000 
   C  19    1.7320     4.6833     3.6055     5.6012     2.0000     4.7146 
   C  20    3.0000     3.3564     1.0001     3.7677     4.0000     4.1070 
   C  21    3.4641     2.1320     1.0000     2.1960     4.3589     3.0897 
   C  22    1.7321     3.2906     4.0000     4.2680     1.0001     2.6955 
   C  23    4.3939     1.7319     2.5481     1.0000     5.0870     2.6457 
   C  24    1.7320     3.6877     2.0000     4.4479     2.6457     4.0678 
   C  25    2.2626     1.7322     3.2610     2.6458     2.2759     1.0001 
   C  26    4.0000     3.9936     1.7321     4.1945     5.0000     4.8499 
   C  27    4.3589     3.0381     1.7321     2.8673     5.2915     4.0250 
   C  28    5.6263     2.9999     5.3153     2.6457     5.7376     2.6457 
   C  29    3.0000     6.0222     5.2915     6.9973     2.6457     5.8230 
   C  30    4.5826     3.8641     2.0000     3.8219     5.5677     4.8153 
   H  31    2.2901     4.9222     4.9340     5.9217     1.4158     4.4772 
   H  32    5.3211     2.2900     4.1701     1.4158     5.7470     2.6200 
   H  33    2.2900     5.1451     3.8242     6.0280     2.6199     5.2501 
   H  34    4.1015     2.2901     4.5546     2.6200     4.0328     1.4158 
   H  35    2.7431     3.6771     1.4158     4.2038     3.7289     4.3242 
   H  36    3.5191     1.6233     1.4158     1.5773     4.3318     2.6151 
   H  37    3.8654     1.5200     1.9297     1.1767     4.6149     2.5121 
   H  38    4.7287     2.2900     2.5848     1.6200     5.4912     3.2379 
   H  39    4.9437     2.1113     3.1671     1.1766     5.5881     2.9083 
   H  40    1.5201     2.6750     3.4769     3.6577     1.1766     2.1315 
   H  41    2.2901     3.2829     4.3433     4.2120     1.6200     2.5334 
   H  42    2.1115     3.9077     4.5475     4.8809     1.1767     3.2799 
   H  43    2.7773     2.1115     3.8616     2.9083     2.6124     1.1766 
   H  44    1.9430     2.2902     3.4792     3.2380     1.7433     1.6201 
   H  45    1.8148     1.5202     2.6690     2.5121     2.0746     1.1766 
   H  46    2.1114     4.3054     2.5559     5.0668     2.9082     4.6584 
   H  47    2.2901     3.7957     1.7733     4.4493     3.2380     4.3101 
   H  48    1.5200     3.0709     1.4956     3.8296     2.5120     3.4876 
   H  49    4.3433     4.5944     2.2901     4.8143     5.3370     5.4293 
   H  50    4.8708     3.1974     2.2901     2.8273     5.7745     4.1974 
   H  51    5.8805     3.0634     5.2818     2.5121     6.0835     2.9084 
   H  52    6.2080     3.6200     5.9319     3.2380     6.2753     3.2380 
   H  53    5.4315     3.0633     5.4202     2.9082     5.4406     2.5121 
   H  54    3.0634     6.0129     5.5256     7.0047     2.5121     5.7123 
   H  55    3.6200     6.6410     5.8808     7.6170     3.2380     6.4280 
   H  56    3.0634     6.0949     5.1222     7.0446     2.9083     5.9961 
   H  57    5.1927     4.4113     2.6200     4.2823     6.1809     5.3793 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.5512     0.0000 
   C  15    1.7320     6.5843     0.0000 
   C  16    5.4623     1.0000     6.7102     0.0000 
   C  17    2.0000     5.8917     1.0000     6.1377     0.0000 
   C  18    4.8316     1.0000     5.7119     1.7320     4.9668     0.0000 
   C  19    1.0000     6.4346     1.0000     6.4116     1.7320     5.6536 
   C  20    2.6458     5.3227     4.3589     4.7675     4.5826     5.0399 
   C  21    3.6055     3.8860     5.2915     3.1781     5.1961     3.8502 
   C  22    2.6458     4.2991     2.6458     4.6950     1.7321     3.3306 
   C  23    4.8380     2.6457     6.3756     1.7320     6.0455     2.9999 
   C  24    1.0000     5.6451     2.6457     5.3776     2.9999     5.0677 
   C  25    3.2283     2.6458     3.9808     3.0001     3.2471     1.7321 
   C  26    3.6056     5.8637     5.2915     5.1779     5.5677     5.7217 
   C  27    4.3589     4.5993     6.0828     3.7660     6.0828     4.7077 
   C  28    6.5012     1.0000     7.4434     1.7320     6.6928     1.7321 
   C  29    2.6457     7.5459     1.0000     7.7006     1.7320     6.6517 
   C  30    4.3589     5.5493     6.0828     4.7474     6.2450     5.5784 
   H  31    2.6200     6.1273     1.4158     6.4595     0.6201     5.1676 
   H  32    6.0077     1.4158     7.3008     0.6200     6.7470     2.2901 
   H  33    1.4158     6.9560     1.4157     6.8770     2.2900     6.2065 
   H  34    5.0573     1.4157     5.7631     2.2900     4.9456     0.6201 
   H  35    2.2146     5.6728     3.8787     5.1964     4.2029     5.2942 
   H  36    3.8242     3.2785     5.4428     2.5582     5.2330     3.3008 
   H  37    4.2534     2.9083     5.8270     2.1115     5.5501     3.0634 
   H  38    5.0660     3.2379     6.6747     2.2900     6.4225     3.6199 
   H  39    5.4305     2.5121     6.9363     1.5200     6.5622     3.0633 
   H  40    2.5121     3.7920     2.9083     4.1220     2.1114     2.8557 
   H  41    3.2380     3.9986     3.2380     4.5108     2.2901     3.0040 
   H  42    2.9083     4.8327     2.5121     5.2788     1.5201     3.8471 
   H  43    3.7659     2.5121     4.3442     3.0634     3.5219     1.5201 
   H  44    2.9418     3.2381     3.4728     3.6201     2.6799     2.2902 
   H  45    2.7261     2.9083     3.6866     3.0634     3.0745     2.1115 
   H  46    1.1766     6.2559     2.5120     5.9976     3.0633     5.6568 
   H  47    1.6200     5.7901     3.2380     5.4180     3.6200     5.3043 
   H  48    1.1766     5.0367     2.9083     4.7576     3.0633     4.4869 
   H  49    3.8242     6.4796     5.4428     5.7979     5.8193     6.3178 
   H  50    4.9340     4.5336     6.6486     3.6274     6.6018     4.7731 
   H  51    6.7064     1.1767     7.7607     1.5201     7.0593     2.1115 
   H  52    7.0972     1.6201     7.9927     2.2901     7.2146     2.2902 
   H  53    6.3503     1.1765     7.1659     2.1114     6.3659     1.5201 
   H  54    2.9083     7.4115     1.1766     7.6455     1.5200     6.4822 
   H  55    3.2380     8.1468     1.6200     8.3158     2.2901     7.2425 
   H  56    2.5121     7.7280     1.1766     7.8048     2.1114     6.8732 
   H  57    4.9340     6.0142     6.6486     5.1666     6.8428     6.1067 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.4641     0.0000 
   C  21    4.5826     1.7321     0.0000 
   C  22    3.0000     4.5826     4.5826     0.0000 
   C  23    5.8376     3.4049     1.6798     4.9777     0.0000 
   C  24    1.7320     1.7321     3.0000     3.4641     4.4537     0.0000 
   C  25    3.9732     4.1155     3.5029     1.6961     3.4641     3.6553 
   C  26    4.3589     1.0000     2.0000     5.5678     3.6086     2.6458 
   C  27    5.2915     2.0000     1.0001     5.5678     2.0617     3.6056 
   C  28    7.3580     6.3138     4.8351     5.0308     3.4640     6.6334 
   C  29    1.7320     5.1962     6.2450     3.4641     7.3702     3.4641 
   C  30    5.1962     1.7320     1.7321     6.0000     3.0579     3.4641 
   H  31    2.2901     5.1928     5.7415     1.8397     6.4998     3.6200 
   H  32    6.9704     5.1157     3.4491     5.3150     1.8396     5.8633 
   H  33    0.6200     3.5192     4.8212     3.6200     6.1842     1.8397 
   H  34    5.8113     5.5226     4.4215     3.2419     3.6200     5.3977 
   H  35    2.9436     0.6200     2.2901     4.4187     3.9362     1.2347 
   H  36    4.8212     2.2901     0.6200     4.4187     1.1331     3.3533 
   H  37    5.2533     2.8061     1.1035     4.5986     0.6200     3.8387 
   H  38    6.0630     3.3142     1.6080     5.4635     0.6200     4.5686 
   H  39    6.4286     4.0101     2.2791     5.4016     0.6200     5.0698 
   H  40    3.0634     4.1340     4.0019     0.6200     4.3578     3.1995 
   H  41    3.6200     5.0105     4.8212     0.6200     5.0099     4.0130 
   H  42    3.0634     5.0676     5.1724     0.6201     5.5977     3.8121 
   H  43    4.4453     4.7309     4.0414     1.8320     3.8121     4.2510 
   H  44    3.5773     4.2408     3.8681     1.0770     4.0131     3.5200 
   H  45    3.5468     3.5017     2.9958     1.7794     3.1995     3.0693 
   H  46    1.5200     2.1115     3.5506     3.8121     5.0505     0.6201 
   H  47    2.2901     1.2347     2.7431     4.0131     4.3157     0.6201 
   H  48    2.1114     1.5201     2.4825     3.1995     3.8642     0.6200 
   H  49    4.4726     1.4157     2.6200     5.9770     4.2200     2.8292 
   H  50    5.8809     2.6200     1.4158     5.9770     1.8971     4.2101 
   H  51    7.6026     6.2684     4.6981     5.4419     3.1995     6.7488 
   H  52    7.9399     6.9297     5.4329     5.5270     4.0130     7.2478 
   H  53    7.1590     6.4191     5.0452     4.6663     3.8120     6.5748 
   H  54    2.1114     5.5323     6.4445     3.1995     7.4558     3.8121 
   H  55    2.2901     5.7415     6.8428     4.0131     7.9875     4.0130 
   H  56    1.5200     4.9156     6.1022     3.8121     7.3362     3.1995 
   H  57    5.7415     2.2900     2.2901     6.6200     3.4440     4.0130 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    4.9877     0.0000 
   C  27    4.4955     1.7320     0.0000 
   C  28    3.4642     6.8264     5.4877     0.0000 
   C  29    4.9204     6.0828     7.0000     8.3833     0.0000 
   C  30    5.1491     1.0000     1.0000     6.4595     6.9282     0.0000 
   H  31    3.4936     6.1810     6.6487     6.8704     1.8397     6.8429 
   H  32    3.6201     5.4273     3.8964     1.8397     8.2943     4.8950 
   H  33    4.5495     4.3318     5.4428     7.8958     1.8396     5.2330 
   H  34    1.8398     6.2496     5.3018     1.8396     6.6639     6.1533 
   H  35    4.1890     1.4158     2.6200     6.6716     4.6695     2.2901 
   H  36    3.1602     2.6200     1.4158     4.2196     6.4222     2.2901 
   H  37    3.1996     3.0851     1.6917     3.8121     6.8161     2.6480 
   H  38    4.0131     3.3454     1.6713     4.0129     7.6581     2.6639 
   H  39    3.8122     4.1586     2.5314     3.1995     7.9341     3.5295 
   H  40    1.1486     5.1006     4.9942     4.5816     3.8121     5.4719 
   H  41    1.5662     5.9770     5.8193     4.6471     4.0130     6.3328 
   H  42    2.2810     6.0626     6.1505     5.5134     3.1995     6.5444 
   H  43    0.6199     5.5920     5.0222     3.1995     5.2394     5.7176 
   H  44    0.6200     5.1692     4.8682     4.0131     4.3821     5.4386 
   H  45    0.6200     4.3876     3.9956     3.8121     4.6625     4.5937 
   H  46    4.1910     2.9084     4.0751     7.2412     3.1994     3.8122 
   H  47    4.0235     2.0699     3.2069     6.7885     4.0130     2.9435 
   H  48    3.1508     2.5121     3.1880     6.0281     3.8121     3.1995 
   H  49    5.5144     0.6200     2.2900     7.4446     6.1647     1.4158 
   H  50    4.7800     2.2901     0.6200     5.3589     7.5792     1.4158 
   H  51    3.8122     6.6980     5.2578     0.6200     8.7209     6.2481 
   H  52    4.0132     7.4283     6.0561     0.6201     8.9193     7.0362 
   H  53    3.1996     7.0075     5.7754     0.6199     8.0793     6.7217 
   H  54    4.7664     6.4560     7.2530     8.2047     0.6200     7.2581 
   H  55    5.5137     6.6018     7.5792     8.9725     0.6200     7.4716 
   H  56    5.1451     5.7523     6.7943     8.6028     0.6200     6.6399 
   H  57    5.7497     1.4158     1.4157     6.8939     7.4716     0.6200 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    7.0760     0.0000 
   H  33    2.8059     7.4185     0.0000 
   H  34    5.0731     2.8059     6.3893     0.0000 
   H  35    4.8213     5.5857     2.9436     5.7328     0.0000 
   H  36    5.7415     2.8421     5.1242     3.8893     2.8059     0.0000 
   H  37    6.0306     2.3470     5.5835     3.6728     3.3245     0.5186 
   H  38    6.9068     2.2900     6.3586     4.2400     3.8920     1.2418 
   H  39    6.9925     1.4245     6.7883     3.6727     4.5501     1.7515 
   H  40    2.3470     4.7407     3.6727     2.8567     4.0348     3.8131 
   H  41    2.2901     5.1274     4.2400     2.8190     4.9004     4.5826 
   H  42    1.4244     5.8987     3.6727     3.6916     4.8517     5.0278 
   H  43    3.6711     3.6728     5.0394     1.4246     4.8088     3.6507 
   H  44    2.8895     4.2401     4.1768     2.2902     4.2234     3.5975 
   H  45    3.4211     3.6727     4.0951     2.3471     3.5691     2.7228 
   H  46    3.6727     6.4823     1.4244     5.9655     1.5222     3.9391 
   H  47    4.2400     5.8583     2.2901     5.6874     0.6582     3.1864 
   H  48    3.6727     5.2446     2.3470     4.8428     1.2251     2.7824 
   H  49    6.4384     6.0434     4.3589     6.8359     1.6199     3.2400 
   H  50    7.1536     3.6606     6.0492     5.3845     3.2400     1.6200 
   H  51    7.2776     1.4245     8.1160     2.3470     6.6730     4.0783 
   H  52    7.3618     2.2901     8.4854     2.2901     7.2912     4.8151 
   H  53    6.4969     2.3470     7.7193     1.4244     6.7277     4.4437 
   H  54    1.4245     8.2512     2.3470     6.4389     5.0409     6.5659 
   H  55    2.2901     8.9110     2.2900     7.2356     5.1962     7.0323 
   H  56    2.3470     8.3831     1.4244     6.9373     4.3551     6.3362 
   H  57    7.4443     5.2557     5.7415     6.6928     2.8059     2.8059 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.8768     0.0000 
   H  39    1.2400     0.8767     0.0000 
   H  40    3.9817     4.8450     4.7849     0.0000 
   H  41    4.6966     5.5377     5.3768     0.8768     0.0000 
   H  42    5.2163     6.0825     6.0190     1.2400     0.8769     0.0000 
   H  43    3.6267     4.3934     4.0841     1.4359     1.4867     2.3280 
   H  44    3.6981     4.5380     4.3935     0.5702     0.9997     1.6625 
   H  45    2.8441     3.6980     3.6267     1.1601     1.8614     2.3991 
   H  46    4.4329     5.1391     5.6686     3.6267     4.3934     4.0841 
   H  47    3.6959     4.3480     4.9356     3.6981     4.5380     4.3935 
   H  48    3.2542     4.0128     4.4770     2.8441     3.6980     3.6267 
   H  49    3.7034     3.9350     4.7612     5.5443     6.4201     6.4404 
   H  50    1.7125     1.3706     2.2436     5.3852     6.1810     6.5741 
   H  51    3.6268     3.6980     2.8441     4.9536     5.1023     5.9548 
   H  52    4.3935     4.5380     3.6981     5.1084     5.1065     5.9807 
   H  53    4.0841     4.3933     3.6267     4.2676     4.2340     5.1093 
   H  54    6.9276     7.7871     7.9972     3.6267     3.6980     2.8441 
   H  55    7.4308     8.2699     8.5529     4.3934     4.5380     3.6980 
   H  56    6.7599     7.5779     7.9191     4.0841     4.3935     3.6267 
   H  57    3.1073     2.9748     3.8515     6.0910     6.9507     7.1637 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.8768     0.0000 
   H  45    1.2399     0.8768     0.0000 
   H  46    4.7716     4.0005     3.6235     0.0000 
   H  47    4.6354     3.9638     3.4145     0.8769     0.0000 
   H  48    3.7607     3.0896     2.5458     1.2400     0.8769     0.0000 
   H  49    6.1257     5.6559     4.9052     2.9660     2.2145     2.8250 
   H  50    5.2657     5.2053     4.3286     4.6901     3.8242     3.7712 
   H  51    3.6269     4.3936     4.0842     7.3649     6.8487     6.1334 
   H  52    3.6982     4.5382     4.3935     7.8541     7.4078     6.6441 
   H  53    2.8442     3.6981     3.6267     7.1693     6.7846     5.9855 
   H  54    5.0202     4.1926     4.5830     3.6267     4.3935     4.0840 
   H  55    5.8116     4.9635     5.2722     3.6979     4.5380     4.3934 
   H  56    5.5199     4.6473     4.8211     2.8440     3.6980     3.6267 
   H  57    6.3108     6.0513     5.2019     4.3171     3.4641     3.7870 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    2.8059     0.0000 
   H  51    7.3179     5.0653     0.0000 
   H  52    8.0473     5.8979     0.8768     0.0000 
   H  53    7.6198     5.7050     1.2400     0.8768     0.0000 
   H  54    6.5841     7.8135     8.5782     8.7180     7.8625     0.0000 
   H  55    6.6486     8.1644     9.3203     9.5013     8.6552     0.8768 
   H  56    5.7816     7.3897     8.9044     9.1582     8.3366     1.2400 
   H  57    1.6200     1.6199     6.6420     7.4546     7.1905     7.8211 

              H  55      H  56      H  57
              ---------------------------------
   H  55    0.0000 
   H  56    0.8768     0.0000 
   H  57    8.0021     7.1587     0.0000 



ATOMIC CHARGES
   P   1    0.2480097018
   O   2   -0.3000631038
   O   3   -0.2828368202
   O   4   -0.2828368202
   C   5    0.2332735381
   C   6    0.2332735381
   C   7    0.0316561776
   C   8    0.0316561776
   C   9    0.0255834538
   C  10   -0.0389945550
   C  11   -0.0389945550
   C  12   -0.0389945550
   C  13   -0.0389945550
   C  14   -0.0499116600
   C  15   -0.0499116600
   C  16   -0.0552243133
   C  17   -0.0552243133
   C  18   -0.0552243133
   C  19   -0.0552243133
   C  20   -0.0505309935
   C  21   -0.0505309935
   C  22   -0.0390135651
   C  23   -0.0390135651
   C  24   -0.0390135651
   C  25   -0.0390135651
   C  26   -0.0610533905
   C  27   -0.0610533905
   C  28   -0.0396916997
   C  29   -0.0396916997
   C  30   -0.0617178891
   H  31    0.0623015422
   H  32    0.0623015422
   H  33    0.0623015422
   H  34    0.0623015422
   H  35    0.0624952095
   H  36    0.0624952095
   H  37    0.0277728526
   H  38    0.0277728526
   H  39    0.0277728526
   H  40    0.0277728526
   H  41    0.0277728526
   H  42    0.0277728526
   H  43    0.0277728526
   H  44    0.0277728526
   H  45    0.0277728526
   H  46    0.0277728526
   H  47    0.0277728526
   H  48    0.0277728526
   H  49    0.0617784281
   H  50    0.0617784281
   H  51    0.0277534946
   H  52    0.0277534946
   H  53    0.0277534946
   H  54    0.0277534946
   H  55    0.0277534946
   H  56    0.0277534946
   H  57    0.0617586244


BOND ANGLES
   2    1    5   O2    P   C2    179.974
   2    1    6   O2    P   C2     89.997
   2    1    9   O2    P  Car     90.003
   5    1    6   C2    P   C2     90.000
   5    1    9   C2    P  Car     90.000
   6    1    9   C2    P  Car    179.974
   1    5    3    P   C2   O2    119.999
   1    5    8    P   C2  Car    160.007
   3    5    8   O2   C2  Car     79.994
   1    6    4    P   C2   O2    160.002
   1    6    7    P   C2  Car    120.001
   4    6    7   O2   C2  Car     79.997
   6    7   11   C2  Car  Car    120.001
   6    7   13   C2  Car  Car    120.001
  11    7   13  Car  Car  Car    119.999
   5    8   10   C2  Car  Car    120.008
   5    8   12   C2  Car  Car    119.989
  10    8   12  Car  Car  Car    120.003
   1    9   20    P  Car  Car    120.001
   1    9   21    P  Car  Car    120.001
  20    9   21  Car  Car  Car    119.998
   8   10   16  Car  Car  Car    120.004
   8   10   23  Car  Car   C3    119.997
  16   10   23  Car  Car   C3    119.999
   7   11   17  Car  Car  Car    120.001
   7   11   22  Car  Car   C3    120.001
  17   11   22  Car  Car   C3    119.998
   8   12   18  Car  Car  Car    119.994
   8   12   25  Car  Car   C3    120.006
  18   12   25  Car  Car   C3    120.000
   7   13   19  Car  Car  Car    120.001
   7   13   24  Car  Car   C3    119.999
  19   13   24  Car  Car   C3    120.001
  16   14   18  Car  Car  Car    119.996
  16   14   28  Car  Car   C3    119.999
  18   14   28  Car  Car   C3    120.005
  17   15   19  Car  Car  Car    119.999
  17   15   29  Car  Car   C3    120.001
  19   15   29  Car  Car   C3    120.001
  10   16   14  Car  Car  Car    119.999
  10   16   32  Car  Car   HC    119.999
  14   16   32  Car  Car   HC    120.002
  11   17   15  Car  Car  Car    120.001
  11   17   31  Car  Car   HC    119.997
  15   17   31  Car  Car   HC    120.002
  12   18   14  Car  Car  Car    120.005
  12   18   34  Car  Car   HC    120.005
  14   18   34  Car  Car   HC    119.990
  13   19   15  Car  Car  Car    120.001
  13   19   33  Car  Car   HC    120.002
  15   19   33  Car  Car   HC    119.998
   9   20   26  Car  Car  Car    120.001
   9   20   35  Car  Car   HC    119.998
  26   20   35  Car  Car   HC    120.001
   9   21   27  Car  Car  Car    119.998
   9   21   36  Car  Car   HC    120.002
  27   21   36  Car  Car   HC    120.000
  11   22   40  Car   C3   HC     89.996
  11   22   41  Car   C3   HC    179.974
  11   22   42  Car   C3   HC     89.999
  40   22   41   HC   C3   HC     90.000
  40   22   42   HC   C3   HC    179.974
  41   22   42   HC   C3   HC     90.005
  10   23   37  Car   C3   HC     90.006
  10   23   38  Car   C3   HC    179.974
  10   23   39  Car   C3   HC     90.003
  37   23   38   HC   C3   HC     90.000
  37   23   39   HC   C3   HC    179.974
  38   23   39   HC   C3   HC     89.991
  13   24   46  Car   C3   HC     89.996
  13   24   47  Car   C3   HC    179.974
  13   24   48  Car   C3   HC     89.999
  46   24   47   HC   C3   HC     90.000
  46   24   48   HC   C3   HC    179.974
  47   24   48   HC   C3   HC     90.005
  12   25   43  Car   C3   HC     89.997
  12   25   44  Car   C3   HC    179.974
  12   25   45  Car   C3   HC     89.992
  43   25   44   HC   C3   HC     90.011
  43   25   45   HC   C3   HC    179.974
  44   25   45   HC   C3   HC     90.000
  20   26   30  Car  Car  Car    120.001
  20   26   49  Car  Car   HC    119.998
  30   26   49  Car  Car   HC    120.002
  21   27   30  Car  Car  Car    120.001
  21   27   50  Car  Car   HC    119.998
  30   27   50  Car  Car   HC    120.001
  14   28   51  Car   C3   HC     90.007
  14   28   52  Car   C3   HC    179.974
  14   28   53  Car   C3   HC     89.999
  51   28   52   HC   C3   HC     89.993
  51   28   53   HC   C3   HC    179.974
  52   28   53   HC   C3   HC     90.001
  15   29   54  Car   C3   HC     90.000
  15   29   55  Car   C3   HC    179.974
  15   29   56  Car   C3   HC     90.000
  54   29   55   HC   C3   HC     90.000
  54   29   56   HC   C3   HC    179.974
  55   29   56   HC   C3   HC     90.000
  26   30   27  Car  Car  Car    120.001
  26   30   57  Car  Car   HC    120.002
  27   30   57  Car  Car   HC    119.998


TORSION ANGLES
   2    1    5    3    179.974
   2    1    5    8      0.026
   6    1    5    3    179.974
   6    1    5    8      0.026
   9    1    5    3      0.026
   9    1    5    8    179.974
   2    1    6    4    179.974
   2    1    6    7      0.026
   5    1    6    4      0.026
   5    1    6    7    179.974
   9    1    6    4    179.974
   9    1    6    7      0.026
   2    1    9   20      0.026
   2    1    9   21    179.974
   5    1    9   20    179.974
   5    1    9   21      0.026
   6    1    9   20      0.026
   6    1    9   21    179.974
   1    5    8   10    179.974
   1    5    8   12      0.026
   3    5    8   10      0.026
   3    5    8   12    179.974
   1    6    7   11    179.974
   1    6    7   13      0.026
   4    6    7   11      0.026
   4    6    7   13    179.974
   6    7   11   17    179.974
   6    7   11   22      0.026
  13    7   11   17      0.026
  13    7   11   22    179.974
   6    7   13   19    179.974
   6    7   13   24      0.026
  11    7   13   19      0.026
  11    7   13   24    179.974
   5    8   10   16    179.974
   5    8   10   23      0.026
  12    8   10   16      0.026
  12    8   10   23    179.974
   5    8   12   18    179.974
   5    8   12   25      0.026
  10    8   12   18      0.026
  10    8   12   25    179.974
   1    9   20   26    179.974
   1    9   20   35      0.026
  21    9   20   26      0.026
  21    9   20   35    179.974
   1    9   21   27    179.974
   1    9   21   36      0.026
  20    9   21   27      0.026
  20    9   21   36    179.974
   8   10   16   14      0.026
   8   10   16   32    179.974
  23   10   16   14    179.974
  23   10   16   32      0.026
   8   10   23   37      0.026
   8   10   23   38    179.974
   8   10   23   39    179.974
  16   10   23   37    179.974
  16   10   23   38      0.026
  16   10   23   39      0.026
   7   11   17   15      0.026
   7   11   17   31    179.974
  22   11   17   15    179.974
  22   11   17   31      0.026
   7   11   22   40      0.026
   7   11   22   41      0.026
   7   11   22   42    179.974
  17   11   22   40    179.974
  17   11   22   41    179.974
  17   11   22   42      0.026
   8   12   18   14      0.026
   8   12   18   34    179.974
  25   12   18   14    179.974
  25   12   18   34      0.026
   8   12   25   43    179.974
   8   12   25   44      0.026
   8   12   25   45      0.026
  18   12   25   43      0.026
  18   12   25   44    179.974
  18   12   25   45    179.974
   7   13   19   15      0.026
   7   13   19   33    179.974
  24   13   19   15    179.974
  24   13   19   33      0.026
   7   13   24   46    179.974
   7   13   24   47    179.974
   7   13   24   48      0.026
  19   13   24   46      0.026
  19   13   24   47      0.026
  19   13   24   48    179.974
  18   14   16   10      0.026
  18   14   16   32    179.974
  28   14   16   10    179.974
  28   14   16   32      0.026
  16   14   18   12      0.026
  16   14   18   34    179.974
  28   14   18   12    179.974
  28   14   18   34      0.026
  16   14   28   51      0.026
  16   14   28   52    179.974
  16   14   28   53    179.974
  18   14   28   51    179.974
  18   14   28   52      0.026
  18   14   28   53      0.026
  19   15   17   11      0.026
  19   15   17   31    179.974
  29   15   17   11    179.974
  29   15   17   31      0.026
  17   15   19   13      0.026
  17   15   19   33    179.974
  29   15   19   13    179.974
  29   15   19   33      0.026
  17   15   29   54      0.026
  17   15   29   55    180.000
  17   15   29   56    179.974
  19   15   29   54    179.974
  19   15   29   55    180.000
  19   15   29   56      0.026
   9   20   26   30      0.026
   9   20   26   49    179.974
  35   20   26   30    179.974
  35   20   26   49      0.026
   9   21   27   30      0.026
   9   21   27   50    179.974
  36   21   27   30    179.974
  36   21   27   50      0.026
  20   26   30   27      0.026
  20   26   30   57    179.974
  49   26   30   27    179.974
  49   26   30   57      0.026
  21   27   30   26      0.026
  21   27   30   57    179.974
  50   27   30   26    179.974
  50   27   30   57      0.026