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[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate ID: AN-9612
CAS:7793-38-6
Supplier:AN PharmaTech Co Ltd

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SMILES:F[C@@]12[C@H]([C@H]3[C@@]([C@](O)(CC3)C(=O)COC(=O)C)(C[C@@H]1O)C)CCC1=CC(=O)C=C[C@]21C	224246
FORMULA: C23H29FO6
MASS: 420.4712
EXACT MASS: 420.1948169
INTERATOMIC DISTANCES

              F   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    3.3621     0.0000 
   O   3    0.7672     3.3241     0.0000 
   O   4    4.5520     1.1940     4.4717     0.0000 
   O   5    5.9973     2.8465     6.1038     2.0000     0.0000 
   O   6    4.1295     7.4127     4.5201     8.6046     9.7828     0.0000 
   O   7    6.8704     4.1710     7.1418     3.6056     1.7321    10.2548 
   C   8    2.3864     1.4094     2.6458     2.5080     3.6397     6.1970 
   C   9    2.4954     2.3450     3.0000     3.3259     4.0479     5.7704 
   C  10    1.9697     3.1403     2.6458     4.2203     5.0478     4.7859 
   C  11    1.0000     3.2729     1.7320     4.4485     5.6070     4.1971 
   C  12    3.3645     1.0000     3.5497     1.7321     2.6458     7.1733 
   C  13    1.6780     1.6842     1.7321     2.8754     4.3822     5.7545 
   C  14    3.4895     2.5795     3.9774     3.2680     3.4715     6.5758 
   C  15    0.6841     2.6832     1.0000     3.8753     5.3198     4.7666 
   C  16    1.3006     4.2895     2.0074     5.4737     6.6412     3.1554 
   C  17    3.9137     1.9694     4.2473     2.3890     2.5024     7.3784 
   C  18    2.7658     4.0792     3.5081     5.0861     5.6372     4.5717 
   C  19    2.6764     0.6883     2.6458     1.8757     3.4798     6.7459 
   C  20    2.9038     4.9404     3.6691     6.0102     6.6671     3.6451 
   C  21    2.3308     5.0293     3.0489     6.1792     7.1172     2.7889 
   C  22    4.2816     1.1756     4.3718     1.0000     1.7321     8.1648 
   C  23    0.6867     4.0482     1.1299     5.2386     6.6594     3.4681 
   C  24    1.3885     4.7477     1.7390     5.9391     7.3296     2.7889 
   C  25    3.1095     6.0668     3.7312     7.2309     8.2022     1.8082 
   C  26    5.0947     2.1727     5.2672     1.7321     1.0000     8.8032 
   C  27    2.4733     5.8324     2.7505     7.0241     8.3896     1.8082 
   C  28    3.1644     6.4185     3.6126     7.6093     8.7868     1.0001 
   C  29    6.8258     3.8001     6.9919     3.0001     1.0001    10.4659 
   C  30    7.7203     4.5632     7.8358     3.6056     1.7321    11.4343 
   H  31    2.9447     3.1497     3.5673     4.0454     4.4699     5.6143 
   H  32    2.8097     3.2666     3.4584     4.2009     4.6833     5.3869 
   H  33    2.2582     1.1415     2.1829     2.3082     3.9477     6.3624 
   H  34    1.6414     1.9241     1.4155     3.0569     4.7446     5.7675 
   H  35    3.4796     3.1285     4.0584     3.8778     4.0496     6.2017 
   H  36    4.0979     2.9920     4.5967     3.5039     3.3439     7.0255 
   H  37    1.0689     2.4548     0.8743     3.6144     5.2305     5.1855 
   H  38    4.4184     2.5576     4.8020     2.8208     2.4802     7.6870 
   H  39    4.3681     1.9046     4.6260     1.9998     1.8837     7.9576 
   H  40    3.3731     4.5589     4.1212     5.5045     5.8707     4.7617 
   H  41    3.0593     3.7859     3.7574     4.7095     5.1043     5.1902 
   H  42    3.2392     0.2570     3.2567     1.3611     2.8599     7.2512 
   H  43    3.0129     0.7351     2.8292     1.6746     3.5224     7.1356 
   H  44    2.1453     1.2846     2.0403     2.4399     4.0997     6.2613 
   H  45    3.3192     5.5503     4.0705     6.6277     7.2751     3.2850 
   H  46    3.4642     5.1932     4.2314     6.2021     6.6751     4.0755 
   H  47    0.1243     3.4340     0.8813     4.6260     6.0424     4.0334 
   H  48    0.8483     4.0182     0.7579     5.1852     6.7456     3.7837 
   H  49    1.3025     4.6641     1.5955     5.8528     7.2770     2.9251 
   H  50    1.1854     4.4831     1.2636     5.6592     7.1725     3.2896 
   H  51    3.9452     0.6200     3.8498     0.6224     2.5095     8.0195 
   H  52    1.3723     3.2398     0.6200     4.3199     6.0774     5.0220 
   H  53    3.6877     6.5246     4.3317     7.6698     8.5319     1.9286 
   H  54    4.7008     2.1184     4.9481     2.0295     1.5967     8.2853 
   H  55    5.4966     2.7532     5.7300     2.3451     1.0813     9.0559 
   H  56    2.8291     6.1786     2.9580     7.3607     8.8143     1.9286 
   H  57    8.0005     4.9532     8.1673     4.0750     2.1114    11.5979 
   H  58    8.2870     5.0778     8.3763     4.0601     2.2901    12.0373 
   H  59    7.4810     4.2284     7.5407     3.1879     1.5200    11.3023 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    4.5072     0.0000 
   C   9    4.5439     1.0000     0.0000 
   C  10    5.4862     1.7320     1.0000     0.0000 
   C  11    6.2624     2.0000     1.7321     1.0001     0.0000 
   C  12    3.6056     0.9941     1.6117     2.5575     2.9792     0.0000 
   C  13    5.4253     1.0000     1.7320     2.0000     1.7321     1.8227 
   C  14    3.6790     1.6118     0.9941     1.8227     2.6956     1.6095 
   C  15    6.2358     1.7321     2.0000     1.7321     1.0000     2.6956 
   C  16    7.2327     3.0416     2.6903     1.7761     1.0417     4.0197 
   C  17    2.9696     1.6094     1.6094     2.5961     3.3000     0.9940 
   C  18    5.7828     2.6799     1.7603     1.0416     1.7760     3.3656 
   C  19    4.6886     1.0000     2.0000     2.6457     2.6458     1.1742 
   C  20    6.8158     3.5322     2.7088     1.8002     2.0694     4.3177 
   C  21    7.4802     3.6767     3.0693     2.0694     1.8002     4.5907 
   C  22    3.0001     1.9693     2.5808     3.5487     3.9679     1.0000 
   C  23    7.4752     3.0299     3.0085     2.3088     1.3187     4.0182 
   C  24    8.0867     3.6913     3.5694     2.7597     1.8377     4.6843 
   C  25    8.5401     4.7386     4.1543     3.1543     2.7996     5.6671 
   C  26    2.0000     2.7124     3.0533     4.0532     4.6443     1.7321 
   C  27    9.0830     4.7502     4.5413     3.6509     2.8242     5.7443 
   C  28    9.2895     5.1969     4.7851     3.8083     3.1970     6.1739 
   C  29    1.0000     4.4414     4.6955     5.6847     6.3453     3.4642 
   C  30    1.7321     5.3494     5.6666     6.6609     7.2891     4.3589 
   H  31    4.6569     1.8474     0.8500     1.0163     2.0085     2.3142 
   H  32    4.8859     1.9235     0.9280     0.8499     1.8500     2.4693 
   H  33    5.1320     1.0812     2.0295     2.5068     2.3451     1.5645 
   H  34    5.9062     1.5968     2.3451     2.5068     2.0295     2.3102 
   H  35    4.0990     1.9966     1.1150     1.6048     2.5791     2.1908 
   H  36    3.2720     2.1923     1.6056     2.3524     3.2738     1.9925 
   H  37    6.2995     1.8397     2.3716     2.2901     1.6200     2.6968 
   H  38    2.5706     2.1908     1.9925     2.9160     3.7238     1.6057 
   H  39    2.5164     1.9925     2.1908     3.1878     3.8335     1.1149 
   H  40    5.8358     3.1852     2.2140     1.6387     2.3902     3.7725 
   H  41    5.1771     2.4379     1.4462     1.1173     2.0634     2.9775 
   H  42    4.0980     1.1766     2.0939     2.9083     3.0875     0.7680 
   H  43    4.9011     1.6200     2.6200     3.2380     3.1408     1.6203 
   H  44    5.2859     1.1766     2.0939     2.5121     2.2884     1.7136 
   H  45    7.3759     4.1438     3.3287     2.4124     2.5785     4.9375 
   H  46    6.6649     3.7897     2.8771     2.0981     2.5712     4.4786 
   H  47    6.8874     2.4191     2.4775     1.9071     0.9218     3.4037 
   H  48    7.6873     3.1845     3.3437     2.7721     1.7745     4.1404 
   H  49    8.0678     3.6438     3.5684     2.7917     1.8431     4.6341 
   H  50    8.0518     3.5716     3.6209     2.9372     1.9465     4.5467 
   H  51    4.0049     2.0144     2.9138     3.7461     3.8915     1.4157 
   H  52    7.2404     2.8292     3.3533     3.1408     2.2901     3.6369 
   H  53    8.7582     5.1637     4.4975     3.5076     3.2886     6.0579 
   H  54    2.1944     2.3217     2.5158     3.5099     4.1679     1.4156 
   H  55    1.4332     3.1147     3.2870     4.2719     4.9591     2.1829 
   H  56    9.5801     5.1804     5.0525     4.1983     3.3216     6.1713 
   H  57    1.5200     5.6151     5.8327     6.8121     7.5033     4.6402 
   H  58    2.2901     5.9273     6.2733     7.2694     7.8813     4.9340 
   H  59    2.1114     5.1450     5.5650     6.5650     7.1225     4.1517 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.5576     0.0000 
   C  15    1.0001     2.9792     0.0000 
   C  16    2.6800     3.5940     1.7604     0.0000 
   C  17    2.5961     0.9941     3.3000     4.2917     0.0000 
   C  18    3.0415     2.1808     2.6902     2.0693     3.1355     0.0000 
   C  19    1.0000     2.4915     2.0000     3.6421     2.1425     3.6421 
   C  20    3.6767     3.2206     3.0693     1.8001     4.1648     1.0416 
   C  21    3.5322     3.8053     2.7088     1.0416     4.6549     1.8001 
   C  22    2.6512     2.3405     3.6003     5.0095     1.4094     4.3099 
   C  23    2.3641     3.9922     1.3668     1.0000     4.5071     2.9037 
   C  24    3.0639     4.5296     2.0646     1.0850     5.1179     3.1541 
   C  25    4.5103     4.8737     3.6103     1.8499     5.7373     2.7916 
   C  26    3.5351     2.4827     4.4276     5.6717     1.5046     4.6401 
   C  27    4.1487     5.4655     3.1492     1.8750     6.1240     3.8200 
   C  28    4.7672     5.6125     3.7858     2.1554     6.3944     3.6751 
   C  29    5.2605     3.9670     6.1596     7.3605     3.0886     6.1427 
   C  30    6.1138     4.9623     7.0454     8.3135     4.0667     7.1401 
   H  31    2.5325     1.0126     2.5932     2.7529     1.9705     1.1697 
   H  32    2.5297     1.2364     2.5022     2.5490     2.1814     0.9541 
   H  33    0.6199     2.6825     1.5968     3.2997     2.4828     3.5371 
   H  34    0.6200     3.1756     1.0812     2.8385     3.1597     3.5408 
   H  35    2.8394     0.6200     3.0651     3.3572     1.6057     1.6841 
   H  36    3.1606     0.6200     3.5980     4.1271     1.1150     2.5112 
   H  37    0.8744     3.2982     0.6200     2.3134     3.4488     3.2823 
   H  38    3.1879     1.1149     3.8335     4.6705     0.6201     3.2735 
   H  39    2.9160     1.6057     3.7238     4.8460     0.6200     3.7553 
   H  40    3.6295     2.4067     3.3101     2.5786     3.3981     0.6200 
   H  41    2.9920     1.6328     2.8477     2.5712     2.6162     0.6201 
   H  42    1.5679     2.3278     2.5559     4.1141     1.7543     3.8345 
   H  43    1.4158     3.0740     2.3716     4.0937     2.6143     4.2474 
   H  44    0.5572     2.7866     1.4956     3.2208     2.6214     3.5490 
   H  45    4.2427     3.8180     3.5692     2.0980     4.7728     1.6387 
   H  46    4.0707     3.2039     3.5631     2.4124     4.1871     1.1174 
   H  47    1.7507     3.4707     0.7508     1.1767     3.9250     2.6743 
   H  48    2.3676     4.3378     1.4524     1.6201     4.7428     3.4654 
   H  49    2.9802     4.5387     1.9853     1.1766     5.0982     3.2374 
   H  50    2.8140     4.6090     1.8532     1.4963     5.0899     3.5000 
   H  51    2.2733     3.0230     3.2727     4.9045     2.2667     4.6643 
   H  52    1.8397     4.2944     1.4158     2.6273     4.4344     4.0574 
   H  53    5.0176     5.1322     4.1535     2.4032     6.0414     2.9756 
   H  54    3.2314     1.8748     4.0537     5.1785     0.9204     4.0451 
   H  55    4.0055     2.5573     4.8467     5.9636     1.6777     4.7369 
   H  56    4.4993     5.9982     3.5131     2.4336     6.6124     4.4232 
   H  57    6.4362     5.0537     7.3355     8.5109     4.2234     7.2083 
   H  58    6.6634     5.5803     7.6088     8.9096     4.6777     7.7588 
   H  59    5.8396     4.9475     6.7994     8.1585     4.0008     7.1253 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    4.4288     0.0000 
   C  21    4.4289     1.0416     0.0000 
   C  22    1.7596     5.2881     5.5898     0.0000 
   C  23    3.3629     2.7899     2.0106     4.9518     0.0000 
   C  24    4.0634     2.7996     1.8500     5.6320     0.7026     0.0000 
   C  25    5.4453     1.8377     1.0850     6.6670     2.6057     2.1555 
   C  26    2.7187     5.6682     6.1223     1.0000     5.7422     6.3988 
   C  27    5.1484     3.1972     2.1555     6.7029     1.7868     1.0850 
   C  28    5.7550     2.8242     1.8750     7.1649     2.5222     1.8750 
   C  29    4.4051     7.1842     7.7389     2.6458     7.4700     8.1208 
   C  30    5.2079     8.1814     8.7214     3.4642     8.3771     9.0402 
   H  31    2.8466     2.2082     2.8288     3.2037     3.3233     3.7684 
   H  32    2.9220     1.9877     2.6007     3.3828     3.1557     3.5780 
   H  33    0.4682     4.2421     4.1446     2.2253     2.9439     3.6464 
   H  34    1.2648     4.0730     3.7860     3.0220     2.3025     2.9979 
   H  35    2.9547     2.7209     3.4131     2.9595     3.8977     4.3641 
   H  36    3.0057     3.5442     4.2380     2.5199     4.5822     5.0969 
   H  37    1.7733     3.6893     3.2988     3.4988     1.7183     2.4117 
   H  38    2.7621     4.3151     4.9200     1.8211     4.9798     5.5597 
   H  39    2.2673     4.7835     5.2540     1.0042     4.9906     5.6253 
   H  40    4.1701     1.1173     2.0981     4.6698     3.4696     3.6571 
   H  41    3.4345     1.6387     2.4124     3.8718     3.3092     3.6436 
   H  42    0.6200     4.7081     4.8255     1.1414     3.9224     4.6175 
   H  43    0.6200     5.0045     4.9396     1.9015     3.6924     4.3937 
   H  44    0.6200     4.2227     4.0882     2.3787     2.8289     3.5314 
   H  45    5.0260     0.6199     1.1172     5.9078     3.0944     2.9663 
   H  46    4.7377     0.6200     1.6387     5.4115     3.3944     3.4195 
   H  47    2.7506     2.7878     2.2066     4.3325     0.6200     1.3141 
   H  48    3.3319     3.4066     2.6232     5.0169     0.6201     1.0365 
   H  49    3.9777     2.9265     1.9964     5.5713     0.6201     0.1709 
   H  50    3.7950     3.2886     2.4033     5.4501     0.6285     0.6200 
   H  51    1.2748     5.5458     5.6491     1.0832     4.6318     5.3335 
   H  52    2.6009     4.2747     3.6689     4.3603     1.7266     2.2798 
   H  53    5.9245     1.9464     1.4962     7.0536     3.2114     2.7754 
   H  54    2.5400     5.0788     5.5728     1.0812     5.3251     5.9606 
   H  55    3.2556     5.7776     6.3235     1.5968     6.1222     6.7567 
   H  56    5.4905     3.8171     2.7755     7.1071     2.1556     1.4963 
   H  57    5.5713     8.2484     8.8512     3.8121     8.6421     9.2890 
   H  58    5.7368     8.7999     9.3324     4.0131     8.9494     9.6183 
   H  59    4.8961     8.1609     8.6342     3.1995     8.1506     8.8278 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    7.2072     0.0000 
   C  27    1.8751     7.4467     0.0000 
   C  28    1.0850     7.8095     1.0850     0.0000 
   C  29    8.8188     1.7321     9.1602     9.4795     0.0000 
   C  30    9.8032     2.6457    10.0917    10.4441     1.0000     0.0000 
   H  31    3.8831     3.4745     4.6219     4.6694     4.9788     5.9747 
   H  32    3.6542     3.6860     4.4130     4.4442     5.2034     6.1985 
   H  33    5.1295     3.1750     4.7305     5.3786     4.8696     5.6760 
   H  34    4.6879     3.9644     4.0691     4.8058     5.6653     6.4723 
   H  35    4.4529     3.0725     5.2274     5.2649     4.4811     5.4808 
   H  36    5.2819     2.4087     6.0021     6.0820     3.6924     4.6918 
   H  37    4.1545     4.4033     3.4822     4.2292     6.1242     6.9624 
   H  38    5.9884     1.5535     6.5312     6.7192     2.8721     3.8713 
   H  39    6.3381     0.8849     6.6533     6.9684     2.5145     3.4768 
   H  40    2.9537     4.8878     4.2212     3.9342     6.2888     7.2886 
   H  41    3.4116     4.1144     4.3814     4.2863     5.5670     6.5663 
   H  42    5.8721     2.1134     5.7001     6.2542     3.7872     4.5887 
   H  43    5.9260     2.9013     5.4730     6.1574     4.4955     5.2153 
   H  44    5.0586     3.3295     4.6140     5.2814     5.0235     5.8272 
   H  45    1.5080     6.2772     3.1508     2.5773     7.7735     8.7721 
   H  46    2.2820     5.6860     3.7866     3.3276     7.1135     8.1135 
   H  47    2.9895     5.1309     2.3984     3.0630     6.8605     7.7622 
   H  48    3.1436     5.8718     1.9991     2.9035     7.6035     8.4758 
   H  49    2.3262     6.3553     1.1838     2.0274     8.0812     8.9927 
   H  50    2.7754     6.2780     1.4962     2.4336     8.0096     8.8986 
   H  51    6.6865     2.0319     6.4184     7.0272     3.5004     4.1739 
   H  52    4.3322     5.3056     3.2238     4.1502     7.0052     7.8011 
   H  53    0.6200     7.5325     2.4337     1.4963     9.0982    10.0912 
   H  54    6.6560     0.6200     6.9883     7.2974     2.1829     3.1512 
   H  55    7.4032     0.6200     7.7814     8.0720     1.4156     2.4060 
   H  56    2.4337     7.8909     0.6200     1.4963     9.6150    10.5297 
   H  57    9.9253     2.9082    10.3229    10.6167     1.1765     0.6199 
   H  58   10.4150     3.2379    10.6754    11.0453     1.6200     0.6200 
   H  59    9.7191     2.5120     9.8939    10.3058     1.1766     0.6200 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.2289     0.0000 
   H  33    2.8747     2.9142     0.0000 
   H  34    3.1285     3.1099     0.7971     0.0000 
   H  35    0.6059     0.8233     3.0749     3.4560     0.0000 
   H  36    1.4127     1.6390     3.2418     3.7756     0.8294     0.0000 
   H  37    3.0654     3.0042     1.3135     0.5869     3.4786     3.9155 
   H  38    2.1163     2.3436     3.1006     3.7640     1.6106     0.8637 
   H  39    2.5904     2.8012     2.6771     3.4236     2.2067     1.6106 
   H  40    1.4666     1.3044     4.1001     4.1454     1.8232     2.5979 
   H  41    0.6683     0.5194     3.4084     3.5517     1.0878     1.9060 
   H  42    2.8942     3.0133     1.0878     1.8848     2.8727     2.7530 
   H  43    3.4664     3.5416     0.7967     1.4196     3.5602     3.5581 
   H  44    2.9324     2.9607     0.1546     0.6451     3.1585     3.3553 
   H  45    2.8082     2.5920     4.8214     4.6051     3.2968     4.1108 
   H  46    2.2237     2.0306     4.6019     4.5179     2.6385     3.4250 
   H  47    2.8944     2.7523     2.3409     1.7454     3.4393     4.0749 
   H  48    3.7681     3.6207     2.8799     2.1443     4.3161     4.9456 
   H  49    3.8054     3.6209     3.5528     2.8855     4.3960     5.1145 
   H  50    3.9519     3.7836     3.3510     2.6343     4.5255     5.2033 
   H  51    3.6898     3.8227     1.6930     2.4347     3.6059     3.3578 
   H  52    4.0022     3.9173     2.1355     1.3414     4.4493     4.9127 
   H  53    4.1230     3.8965     5.6331     5.2346     4.6598     5.4863 
   H  54    2.8762     3.0921     2.9647     3.7244     2.4565     1.7914 
   H  55    3.5698     3.7931     3.6990     4.4752     3.0903     2.3308 
   H  56    5.1862     4.9824     5.0532     4.3433     5.7899     6.5498 
   H  57    6.0573     6.2849     6.0374     6.8340     5.5287     4.7145 
   H  58    6.5927     6.8162     6.2044     6.9978     6.1006     5.3116 
   H  59    5.9556     6.1735     5.3621     6.1519     5.5026     4.7505 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    4.0268     0.0000 
   H  39    3.7890     0.8295     0.0000 
   H  40    3.9003     3.4277     4.0124     0.0000 
   H  41    3.3915     2.6951     3.2340     0.7983     0.0000 
   H  42    2.3826     2.3548     1.7483     4.3078     3.5325     0.0000 
   H  43    2.0000     3.2231     2.6212     4.7838     4.0532     0.8768 
   H  44    1.1752     3.2376     2.8273     4.1219     3.4469     1.2400 
   H  45    4.1856     4.9016     5.3923     1.5715     2.2090     5.3203 
   H  46    4.1800     4.2478     4.8053     0.8296     1.5716     4.9499 
   H  47    1.1793     4.4186     4.3917     3.2779     2.9851     3.3041 
   H  48    1.5715     5.2588     5.1762     4.0478     3.8270     3.9287 
   H  49    2.2985     5.5536     5.5941     3.7552     3.7094     4.5411 
   H  50    2.0541     5.5792     5.5528     4.0485     3.9269     4.3815 
   H  51    2.9945     2.7927     2.0303     5.1237     4.3401     0.8378 
   H  52    1.0000     5.0197     4.7445     4.6754     4.2580     3.2203 
   H  53    4.7166     6.2391     6.6532     3.0108     3.5834     6.3188 
   H  54    4.1055     0.9441     0.3353     4.2754     3.5076     1.9893 
   H  55    4.8797     1.4818     1.1319     4.9095     4.1706     2.6686 
   H  56    3.7627     7.0449     7.1215     4.8364     4.9745     6.0656 
   H  57    7.2987     3.9413     3.6700     7.3048     6.6158     4.9521 
   H  58    7.5020     4.4910     4.0825     7.9085     7.1860     5.1208 
   H  59    6.6669     3.8997     3.3876     7.3249     6.5751     4.2844 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.8768     0.0000 
   H  45    5.5930     4.7943     0.0000 
   H  46    5.3351     4.6000     0.7982     0.0000 
   H  47    3.1037     2.2324     3.1978     3.3524     0.0000 
   H  48    3.5639     2.7454     3.7133     4.0078     0.8768     0.0000 
   H  49    4.2899     3.4337     3.1136     3.5462     1.2400     0.8768 
   H  50    4.0530     3.2212     3.5180     3.9048     1.1649     0.5062 
   H  51    1.0589     1.8213     6.1581     5.7810     4.0226     4.5658 
   H  52    2.6458     1.9817     4.6871     4.8271     1.4912     1.2468 
   H  53    6.4292     5.5715     1.4482     2.2429     3.5658     3.7591 
   H  54    2.8485     3.1168     5.6837     5.0784     4.7254     5.5061 
   H  55    3.4871     3.8529     6.3717     5.7286     5.5220     6.2988 
   H  56    5.7621     4.9262     3.7621     4.4061     2.7746     2.2044 
   H  57    5.6339     6.1908     8.8240     8.1341     8.0340     8.7799 
   H  58    5.7042     6.3536     9.3914     8.7335     8.3325     9.0299 
   H  59    4.8401     5.5096     8.7638     8.1401     7.5316     8.2071 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.4492     0.0000 
   H  51    5.2437     5.0422     0.0000 
   H  52    2.1231     1.7325     3.7010     0.0000 
   H  53    2.9462     3.3954     7.1443     4.9374     0.0000 
   H  54    5.9291     5.8858     2.1580     5.0524     6.9615     0.0000 
   H  55    6.7260     6.6818     2.6486     5.8115     7.6853     0.7970 
   H  56    1.5373     1.7091     6.7459     3.3445     2.9538     7.4568 
   H  57    9.2518     9.1848     4.6144     8.1722    10.1792     3.3354 
   H  58    9.5668     9.4609     4.6509     8.3168    10.7076     3.7599 
   H  59    8.7698     8.6474     3.7840     7.4631    10.0407     3.0827 

              H  55      H  56      H  57      H  58      H  59
              -------------------------------------------------------
   H  55    0.0000 
   H  56    8.2530     0.0000 
   H  57    2.5475    10.7842     0.0000 
   H  58    3.0232    11.1041     0.8768     0.0000 
   H  59    2.4199    10.3061     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   F   1   -0.2377120314
   O   2   -0.3803806493
   O   3   -0.3885806001
   O   4   -0.2906827441
   O   5   -0.4570230489
   O   6   -0.2879176209
   O   7   -0.2511541969
   C   8    0.0093575385
   C   9   -0.0265754134
   C  10    0.0002954787
   C  11    0.1525815565
   C  12    0.1325984511
   C  13   -0.0151025724
   C  14   -0.0462327402
   C  15    0.0909640674
   C  16    0.0442584476
   C  17   -0.0161190690
   C  18   -0.0431955559
   C  19   -0.0561784881
   C  20   -0.0300594259
   C  21   -0.0531829954
   C  22    0.2021654712
   C  23   -0.0492920882
   C  24   -0.0674453817
   C  25   -0.0147945960
   C  26    0.1530307808
   C  27   -0.0179522155
   C  28    0.1787001854
   C  29    0.3043448006
   C  30    0.0332429273
   H  31    0.0310719380
   H  32    0.0335523244
   H  33    0.0297430807
   H  34    0.0297430807
   H  35    0.0269217788
   H  36    0.0269217788
   H  37    0.0625500484
   H  38    0.0297386660
   H  39    0.0297386660
   H  40    0.0272027648
   H  41    0.0272027648
   H  42    0.0236173006
   H  43    0.0236173006
   H  44    0.0236173006
   H  45    0.0310474706
   H  46    0.0310474706
   H  47    0.0242096070
   H  48    0.0242096070
   H  49    0.0242096070
   H  50    0.0582793510
   H  51    0.2107636722
   H  52    0.2099117616
   H  53    0.0655505787
   H  54    0.0779097701
   H  55    0.0779097701
   H  56    0.0652785478
   H  57    0.0341585738
   H  58    0.0341585738
   H  59    0.0341585738


BOND ANGLES
  12    2   51   C3   O3   HO    119.994
  15    3   52   C3   O3   HO    120.001
  26    5   29   C3   O3   C2    119.995
   9    8   12   C3   C3   C3    107.850
   9    8   13   C3   C3   C3    120.001
   9    8   19   C3   C3   C3    179.974
  12    8   13   C3   C3   C3    132.149
  12    8   19   C3   C3   C3     72.150
  13    8   19   C3   C3   C3     59.999
   8    9   10   C3   C3   C3    120.001
   8    9   14   C3   C3   C3    107.855
   8    9   31   C3   C3   HC    173.929
  10    9   14   C3   C3   C3    132.144
  10    9   31   C3   C3   HC     66.071
  14    9   31   C3   C3   HC     66.073
   9   10   11   C3   C3   C3    120.001
   9   10   18   C3   C3   C3    119.121
   9   10   32   C3   C3   HC     59.561
  11   10   18   C3   C3   C3    120.878
  11   10   32   C3   C3   HC    179.562
  18   10   32   C3   C3   HC     59.560
   1   11   10    F   C3   C3    160.000
   1   11   15    F   C3   C3     40.002
   1   11   16    F   C3   C3     79.117
  10   11   15   C3   C3   C3    119.998
  10   11   16   C3   C3   C3    120.883
  15   11   16   C3   C3   C3    119.119
   2   12    8   O3   C3   C3     89.948
   2   12   17   O3   C3   C3    161.951
   2   12   22   O3   C3   C2     72.000
   8   12   17   C3   C3   C3    108.101
   8   12   22   C3   C3   C2    161.947
  17   12   22   C3   C3   C2     89.952
   8   13   15   C3   C3   C3    120.001
   8   13   33   C3   C3   HC     80.000
   8   13   34   C3   C3   HC    160.009
  15   13   33   C3   C3   HC    159.999
  15   13   34   C3   C3   HC     79.990
  33   13   34   HC   C3   HC     80.009
   9   14   17   C3   C3   C3    108.092
   9   14   35   C3   C3   HC     83.974
   9   14   36   C3   C3   HC    167.941
  17   14   35   C3   C3   HC    167.934
  17   14   36   C3   C3   HC     83.967
  35   14   36   HC   C3   HC     83.967
   3   15   11   O3   C3   C3    120.001
   3   15   13   O3   C3   C3    120.001
   3   15   37   O3   C3   HC     59.999
  11   15   13   C3   C3   C3    119.998
  11   15   37   C3   C3   HC    179.974
  13   15   37   C3   C3   HC     60.002
  11   16   21   C3   C3   C2    119.559
  11   16   23   C3   C3   C3     80.436
  11   16   24   C3   C3   C2    119.554
  21   16   23   C2   C3   C3    160.005
  21   16   24   C2   C3   C2    120.887
  23   16   24   C3   C3   C2     39.118
  12   17   14   C3   C3   C3    108.101
  12   17   38   C3   C3   HC    167.938
  12   17   39   C3   C3   HC     83.971
  14   17   38   C3   C3   HC     83.961
  14   17   39   C3   C3   HC    167.927
  38   17   39   HC   C3   HC     83.966
  10   18   20   C3   C3   C3    119.565
  10   18   40   C3   C3   HC    160.285
  10   18   41   C3   C3   HC     80.145
  20   18   40   C3   C3   HC     80.150
  20   18   41   C3   C3   HC    160.291
  40   18   41   HC   C3   HC     80.140
   8   19   42   C3   C3   HC     90.000
   8   19   43   C3   C3   HC    179.974
   8   19   44   C3   C3   HC     90.000
  42   19   43   HC   C3   HC     90.000
  42   19   44   HC   C3   HC    179.974
  43   19   44   HC   C3   HC     90.000
  18   20   21   C3   C3   C2    119.556
  18   20   45   C3   C3   HC    160.301
  18   20   46   C3   C3   HC     80.155
  21   20   45   C2   C3   HC     80.142
  21   20   46   C2   C3   HC    160.288
  45   20   46   HC   C3   HC     80.146
  16   21   20   C3   C2   C3    119.559
  16   21   25   C3   C2   C2    120.881
  20   21   25   C3   C2   C2    119.560
   4   22   12   O2   C2   C3    120.002
   4   22   26   O2   C2   C3    119.997
  12   22   26   C3   C2   C3    120.000
  16   23   47   C3   C3   HC     90.008
  16   23   48   C3   C3   HC    179.974
  16   23   49   C3   C3   HC     90.004
  47   23   48   HC   C3   HC     89.997
  47   23   49   HC   C3   HC    179.974
  48   23   49   HC   C3   HC     89.991
  16   24   27   C3   C2   C2    119.559
  16   24   50   C3   C2   HC    120.227
  27   24   50   C2   C2   HC    120.214
  21   25   28   C2   C2   C2    119.558
  21   25   53   C2   C2   HC    120.219
  28   25   53   C2   C2   HC    120.223
   5   26   22   O3   C3   C2    120.000
   5   26   54   O3   C3   HC    160.003
   5   26   55   O3   C3   HC     80.007
  22   26   54   C2   C3   HC     79.997
  22   26   55   C2   C3   HC    159.992
  54   26   55   HC   C3   HC     79.995
  24   27   28   C2   C2   C2    119.552
  24   27   56   C2   C2   HC    120.222
  28   27   56   C2   C2   HC    120.226
   6   28   25   O2   C2   C2    120.219
   6   28   27   O2   C2   C2    120.218
  25   28   27   C2   C2   C2    119.563
   5   29    7   O3   C2   O2    120.003
   5   29   30   O3   C2   C3    119.995
   7   29   30   O2   C2   C3    120.002
  29   30   57   C2   C3   HC     89.995
  29   30   58   C2   C3   HC    179.974
  29   30   59   C2   C3   HC     89.998
  57   30   58   HC   C3   HC     90.007
  57   30   59   HC   C3   HC    179.974
  58   30   59   HC   C3   HC     90.000


TORSION ANGLES
   8   12    2   51    179.974
  17   12    2   51      0.026
  22   12    2   51      0.026
  11   15    3   52    179.974
  13   15    3   52      0.026
  37   15    3   52      0.026
  29    5   26   22    179.974
  29    5   26   54      0.026
  29    5   26   55      0.026
  26    5   29    7      0.026
  26    5   29   30    179.974
  12    8    9   10    179.974
  12    8    9   14      0.026
  12    8    9   31      0.026
  13    8    9   10      0.026
  13    8    9   14    179.974
  13    8    9   31    179.974
  19    8    9   10    180.000
  19    8    9   14    180.000
  19    8    9   31    180.000
   9    8   12    2    179.974
   9    8   12   17      0.026
   9    8   12   22    179.974
  13    8   12    2      0.026
  13    8   12   17    179.974
  13    8   12   22      0.026
  19    8   12    2      0.026
  19    8   12   17    179.974
  19    8   12   22      0.026
   9    8   13   15      0.026
   9    8   13   33    179.974
   9    8   13   34    179.974
  12    8   13   15    179.974
  12    8   13   33      0.026
  12    8   13   34      0.026
  19    8   13   15    179.974
  19    8   13   33      0.026
  19    8   13   34      0.026
   9    8   19   42    180.000
   9    8   19   43    180.000
   9    8   19   44    180.000
  12    8   19   42      0.026
  12    8   19   43    180.000
  12    8   19   44    179.974
  13    8   19   42    179.974
  13    8   19   43    180.000
  13    8   19   44      0.026
   8    9   10   11      0.026
   8    9   10   18    179.974
   8    9   10   32    179.974
  14    9   10   11    179.974
  14    9   10   18      0.026
  14    9   10   32      0.026
  31    9   10   11    179.974
  31    9   10   18      0.026
  31    9   10   32      0.026
   8    9   14   17      0.026
   8    9   14   35    179.974
   8    9   14   36    179.974
  10    9   14   17    179.974
  10    9   14   35      0.026
  10    9   14   36      0.026
  31    9   14   17    179.974
  31    9   14   35      0.026
  31    9   14   36      0.026
   9   10   11    1      0.026
   9   10   11   15      0.026
   9   10   11   16    179.974
  18   10   11    1    179.974
  18   10   11   15    179.974
  18   10   11   16      0.026
  32   10   11    1      0.026
  32   10   11   15      0.026
  32   10   11   16    179.974
   9   10   18   20    179.974
   9   10   18   40      0.026
   9   10   18   41      0.026
  11   10   18   20      0.026
  11   10   18   40    179.974
  11   10   18   41    179.974
  32   10   18   20    179.974
  32   10   18   40      0.026
  32   10   18   41      0.026
   1   11   15    3      0.026
   1   11   15   13    179.974
   1   11   15   37    180.000
  10   11   15    3    179.974
  10   11   15   13      0.026
  10   11   15   37    180.000
  16   11   15    3      0.026
  16   11   15   13    179.974
  16   11   15   37    180.000
   1   11   16   21    179.974
   1   11   16   23      0.026
   1   11   16   24      0.026
  10   11   16   21      0.026
  10   11   16   23    179.974
  10   11   16   24    179.974
  15   11   16   21    179.974
  15   11   16   23      0.026
  15   11   16   24      0.026
   2   12   17   14    179.974
   2   12   17   38      0.026
   2   12   17   39      0.026
   8   12   17   14      0.026
   8   12   17   38    179.974
   8   12   17   39    179.974
  22   12   17   14    179.974
  22   12   17   38      0.026
  22   12   17   39      0.026
   2   12   22    4      0.026
   2   12   22   26    179.974
   8   12   22    4      0.026
   8   12   22   26    179.974
  17   12   22    4    179.974
  17   12   22   26      0.026
   8   13   15    3    179.974
   8   13   15   11      0.026
   8   13   15   37    179.974
  33   13   15    3      0.026
  33   13   15   11    179.974
  33   13   15   37      0.026
  34   13   15    3      0.026
  34   13   15   11    179.974
  34   13   15   37      0.026
   9   14   17   12      0.026
   9   14   17   38    179.974
   9   14   17   39    179.974
  35   14   17   12    179.974
  35   14   17   38      0.026
  35   14   17   39      0.026
  36   14   17   12    179.974
  36   14   17   38      0.026
  36   14   17   39      0.026
  11   16   21   20      0.026
  11   16   21   25    179.974
  23   16   21   20    179.974
  23   16   21   25      0.026
  24   16   21   20    179.974
  24   16   21   25      0.026
  11   16   23   47      0.026
  11   16   23   48    179.974
  11   16   23   49    179.974
  21   16   23   47    179.974
  21   16   23   48      0.026
  21   16   23   49      0.026
  24   16   23   47    179.974
  24   16   23   48      0.026
  24   16   23   49      0.026
  11   16   24   27    179.974
  11   16   24   50      0.026
  21   16   24   27      0.026
  21   16   24   50    179.974
  23   16   24   27    179.974
  23   16   24   50      0.026
  10   18   20   21      0.026
  10   18   20   45    179.974
  10   18   20   46    179.974
  40   18   20   21    179.974
  40   18   20   45      0.026
  40   18   20   46      0.026
  41   18   20   21    179.974
  41   18   20   45      0.026
  41   18   20   46      0.026
  18   20   21   16      0.026
  18   20   21   25    179.974
  45   20   21   16    179.974
  45   20   21   25      0.026
  46   20   21   16    179.974
  46   20   21   25      0.026
  16   21   25   28      0.026
  16   21   25   53    179.974
  20   21   25   28    179.974
  20   21   25   53      0.026
   4   22   26    5      0.026
   4   22   26   54    179.974
   4   22   26   55    179.974
  12   22   26    5    179.974
  12   22   26   54      0.026
  12   22   26   55      0.026
  16   24   27   28      0.026
  16   24   27   56    179.974
  50   24   27   28    179.974
  50   24   27   56      0.026
  21   25   28    6    179.974
  21   25   28   27      0.026
  53   25   28    6      0.026
  53   25   28   27    179.974
  24   27   28    6    179.974
  24   27   28   25      0.026
  56   27   28    6      0.026
  56   27   28   25    179.974
   5   29   30   57    179.974
   5   29   30   58      0.026
   5   29   30   59      0.026
   7   29   30   57      0.026
   7   29   30   58    179.974
   7   29   30   59    179.974


CHIRAL ATOMS
   7   29   30   59    179.974
   7   29   30   59    179.974
   7   29   30   59    179.974
   7   29   30   59    179.974
   7   29   30   59    179.974
   7   29   30   59    179.974
   7   29   30   59    179.974