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[(2R,3R,4R,5R)-4-acetoxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyl-tetrahydrofuran-3-yl] acetate
[(2R,3R,4R,5R)-4-acetoxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyl-tetrahydrofuran-3-yl] acetate ID: AN-16744
CAS:162204-20-8
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1cn([C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H]2OC(=O)C)C)c(=O)nc1NC(=O)OCCCCC	46243729
FORMULA: C19H26FN3O8
MASS: 443.4234
EXACT MASS: 443.1703930
INTERATOMIC DISTANCES

              F   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    3.7046     0.0000 
   O   3    4.7902     2.5876     0.0000 
   O   4    6.0457     2.5876     2.1755     0.0000 
   O   5    4.0001     2.9964     1.2791     3.4092     0.0000 
   O   6    6.3628     3.3805     1.7320     1.2791     2.9797     0.0000 
   O   7    6.5220     2.8219     3.7189     1.7321     4.8214     2.9798 
   O   8    3.6056     6.3140     5.8476     7.8509     4.5826     7.5623 
   O   9    3.6056     5.2445     4.2789     6.3804     3.0000     5.9527 
   N  10    2.6458     1.7820     2.1756     3.5201     1.7321     3.7189 
   N  11    2.6458     3.5129     2.9191     4.8529     1.7321     4.6511 
   N  12    2.0000     4.6586     4.6267     6.4403     3.4641     6.3550 
   C  13    4.3965     1.6180     1.0000     1.7819     1.8366     2.0000 
   C  14    5.0580     1.6180     1.7820     1.0000     2.8220     1.8366 
   C  15    3.4641     1.0000     1.7820     2.5876     2.0000     2.9963 
   C  16    4.7031     0.9999     2.5876     1.7820     3.3805     2.8220 
   C  17    5.3865     1.7819     3.5201     2.1756     4.3772     3.4093 
   C  18    1.7321     2.0886     3.1718     4.3154     2.6458     4.6617 
   C  19    3.0000     2.6767     1.9909     3.8542     1.0001     3.7122 
   C  20    5.7900     3.3317     0.9999     1.9907     2.0950     1.0000 
   C  21    6.7103     3.0608     3.1718     1.0000     4.3891     2.0950 
   C  22    1.0001     3.0883     3.8234     5.2267     3.0000     5.4391 
   C  23    1.7321     3.6779     3.7214     5.4573     2.6458     5.4345 
   C  24    6.3356     4.2636     1.7320     2.9190     2.3774     1.7320 
   C  25    7.6809     4.0553     3.8233     1.7321     5.0915     2.3774 
   C  26    5.2916     8.0020     7.2789     9.3700     6.0000     8.9438 
   C  27    6.2450     8.7762     7.8238     9.9629     6.5574     9.4309 
   C  28    4.5827     7.0609     6.2789     8.3726     5.0000     7.9460 
   C  29    7.0000     9.7055     8.8187    10.9524     7.5498    10.4304 
   C  30    3.0000     5.3564     4.8617     6.8514     3.6056     6.5830 
   C  31    7.9373    10.4969     9.4340    11.5939     8.1853    10.9883 
   H  32    3.9765     1.8211     0.9064     2.3794     1.2782     2.3948 
   H  33    5.2745     2.1026     1.3312     0.9063     2.5192     1.2782 
   H  34    2.9634     0.9064     2.3794     3.0989     2.3948     3.6031 
   H  35    4.4848     0.9063     3.0990     2.3794     3.7488     3.4419 
   H  36    5.8261     2.1362     3.3804     1.7132     4.3767     2.9869 
   H  37    5.8561     2.3513     4.1142     2.5891     4.9958     3.8596 
   H  38    4.9854     1.5990     3.7583     2.7019     4.4646     3.8851 
   H  39    1.8397     1.8744     3.4875     4.3267     3.1409     4.8360 
   H  40    5.8520     4.1072     1.5200     3.1645     1.8557     2.1115 
   H  41    6.7265     4.8549     2.2900     3.5143     2.7275     2.2900 
   H  42    6.8413     4.5007     2.1114     2.7923     2.9375     1.5201 
   H  43    7.5656     4.0468     3.4272     1.5201     4.7062     1.8558 
   H  44    8.2862     4.6732     4.2951     2.2901     5.5729     2.7276 
   H  45    7.8436     4.1574     4.2730     2.1115     5.5198     2.9375 
   H  46    1.7733     4.9054     5.1316     6.8532     4.0130     6.8490 
   H  47    6.7559     9.1273     8.0184    10.1789     6.7707     9.5774 
   H  48    5.9981     8.3322     7.2724     9.4239     6.0148     8.8584 
   H  49    4.8264     7.7253     7.1996     9.2403     5.9240     8.8962 
   H  50    5.6193     8.4959     7.8651     9.9398     6.5860     9.5402 
   H  51    5.1245     7.4002     6.4130     8.5481     5.1441     8.0338 
   H  52    4.3998     6.6062     5.6992     7.8123     4.4225     7.3518 
   H  53    6.5508     9.4056     8.6742    10.7778     7.3968    10.3230 
   H  54    7.3455    10.1845     9.3823    11.5039     8.1090    11.0090 
   H  55    8.1613    10.8728     9.9143    12.0631     8.6546    11.4951 
   H  56    8.5255    11.0047     9.8472    12.0163     8.6142    11.3647 
   H  57    7.7565    10.1451     8.9709    11.1396     7.7374    10.4938 

              O   7      O   8      O   9      N  10      N  11      N  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    8.9440     0.0000 
   O   9    7.6447     1.7321     0.0000 
   N  10    4.3771     4.5826     3.4641     0.0000 
   N  11    5.9833     3.0000     1.7321     1.7320     0.0000 
   N  12    7.3726     1.7320     1.7321     3.0000     1.7320     0.0000 
   C  13    2.9963     6.0881     4.6797     1.7820     3.0883     4.6586 
   C  14    2.0000     7.0483     5.6742     2.5876     4.0553     5.5613 
   C  15    3.3805     5.5678     4.3589     1.0000     2.6457     4.0000 
   C  16    1.8366     7.1701     5.9716     2.5876     4.2636     5.5613 
   C  17    1.2791     8.0874     6.9460     3.5201     5.2267     6.4403 
   C  18    4.8972     4.3589     3.6056     1.0000     2.0000     2.6457 
   C  19    5.0068     4.0000     2.6458     1.0000     1.0000     2.6457 
   C  20    3.7122     6.6525     5.0076     3.1718     3.8169     5.5451 
   C  21    1.0001     8.7634     7.3371     4.3155     5.7644     7.2933 
   C  22    5.8919     3.4641     3.0000     1.7320     1.7320     1.7320 
   C  23    6.3736     2.6457     2.0000     2.0000     1.0000     1.0000 
   C  24    4.6511     6.6622     4.9483     3.8234     4.0684     5.7837 
   C  25    1.7320     9.5789     8.0837     5.2267     6.5827     8.1695 
   C  26   10.5658     1.7321     3.0000     6.2450     4.5826     3.4641 
   C  27   11.2492     2.6458     3.6055     7.0000     5.2915     4.3589 
   C  28    9.5867     1.0001     2.0000     5.2915     3.6056     2.6458 
   C  29   12.2179     3.4641     4.5826     7.9373     6.2450     5.1962 
   C  30    7.9538     1.0000     1.0001     3.6055     2.0000     1.0000 
   C  31   12.9300     4.3589     5.2915     8.7178     7.0000     6.0828 
   H  32    3.6031     5.4755     4.0603     1.3313     2.4757     4.0773 
   H  33    2.3949     6.9462     5.4770     2.6832     3.9495     5.5543 
   H  34    3.6552     5.4078     4.3642     0.9063     2.6332     3.7593 
   H  35    2.0834     7.2182     6.1404     2.6832     4.4104     5.5543 
   H  36    0.7082     8.3397     7.1014     3.7583     5.4108     6.7378 
   H  37    1.2504     8.6652     7.5534     4.1142     5.8301     7.0017 
   H  38    1.8813     7.8759     6.8435     3.3804     5.1117     6.1909 
   H  39    4.6844     4.8708     4.2101     1.4158     2.6200     3.1408 
   H  40    4.8775     6.0446     4.3288     3.4272     3.4989     5.2001 
   H  41    5.2445     6.7431     5.0123     4.2951     4.3342     6.0110 
   H  42    4.4995     7.2801     5.5678     4.2730     4.6508     6.3742 
   H  43    2.1115     9.2503     7.7061     5.0280     6.2716     7.9068 
   H  44    2.2901    10.1012     8.5726     5.8064     7.1135     8.7262 
   H  45    1.5200     9.9353     8.4898     5.4887     6.9355     8.4696 
   H  46    7.6792     1.8396     2.2901     3.3533     2.2900     0.6200 
   H  47   11.5250     3.1513     3.8982     7.3456     5.6193     4.8282 
   H  48   10.7472     2.4059     3.1102     6.5507     4.8263     4.0507 
   H  49   10.3582     1.4156     2.9561     5.9982     4.3998     3.1022 
   H  50   11.1010     2.1829     3.5889     6.7558     5.1245     3.8917 
   H  51    9.8389     1.5968     2.1943     5.6193     3.8982     3.1512 
   H  52    9.0688     1.0813     1.4332     4.8263     3.1102     2.4059 
   H  53   11.9813     3.1022     4.3998     7.6549     5.9982     4.8211 
   H  54   12.7378     3.8917     5.1245     8.4274     6.7558     5.6148 
   H  55   13.3607     4.6403     5.7167     9.1010     7.3996     6.3723 
   H  56   13.3900     4.9340     5.7744     9.2230     7.4970     6.6486 
   H  57   12.5153     4.1517     4.9081     8.3631     6.6344     5.8449 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.9999     0.0000 
   C  15    1.0000     1.6180     0.0000 
   C  16    1.6180     1.0000     1.6180     0.0000 
   C  17    2.5876     1.7820     2.5876     1.0000     0.0000 
   C  18    2.6767     3.3317     1.7320     3.0608     3.8542     0.0000 
   C  19    2.0886     3.0608     1.7320     3.3317     4.3154     1.7320 
   C  20    1.7320     2.0885     2.6767     3.0608     3.8542     4.1646 
   C  21    2.6767     1.7321     3.3318     2.0886     1.9909     5.0064 
   C  22    3.5129     4.2636     2.6457     4.0553     4.8529     1.0000 
   C  23    3.6779     4.5663     3.0000     4.5663     5.4573     1.7320 
   C  24    2.6458     3.0883     3.5129     4.0554     4.8529     4.8208 
   C  25    3.5128     2.6458     4.2636     3.0883     2.9191     5.9655 
   C  26    7.6437     8.6272     7.2111     8.8257     9.7639     6.0828 
   C  27    8.2833     9.2791     7.9373     9.5550    10.5150     6.9282 
   C  28    6.6522     7.6388     6.2450     7.8623     8.8112     5.1962 
   C  29    9.2622    10.2557     8.8882    10.5060    11.4569     7.8102 
   C  30    5.0881     6.0499     4.5826     6.1914     7.1211     3.4641 
   C  31    9.9486    10.9477     9.6437    11.2597    12.2267     8.6602 
   H  32    0.6200     1.6153     0.9063     2.1026     3.0990     2.3058 
   H  33    0.9063     0.6200     1.8210     1.6153     2.3794     3.5452 
   H  34    1.6153     2.1026     0.6200     1.8211     2.6833     1.2582 
   H  35    2.1026     1.6153     1.8210     0.6200     0.9063     2.9521 
   H  36    2.5417     1.5990     2.7749     1.1767     0.6201     4.2216 
   H  37    3.1981     2.3513     3.1981     1.6200     0.6200     4.3887 
   H  38    2.7749     2.1362     2.5417     1.1766     0.6200     3.5577 
   H  39    2.8379     3.3268     1.8397     2.8743     3.5518     0.6201 
   H  40    2.5121     3.1387     3.2631     4.0468     4.9204     4.4098 
   H  41    3.2379     3.7082     4.0686     4.6732     5.4723     5.2820 
   H  42    2.9083     3.1612     3.8473     4.1575     4.8642     5.2728 
   H  43    3.2630     2.5121     4.1072     3.1387     3.1645     5.8355 
   H  44    4.0686     3.2380     4.8550     3.7083     3.5145     6.5663 
   H  45    3.8472     2.9083     4.5007     3.1611     2.7922     6.1554 
   H  46    5.0794     5.9400     4.3433     5.8489     6.6806     2.8292 
   H  47    8.5396     9.5392     8.2567     9.8698    10.8431     7.3422 
   H  48    7.7674     8.7661     7.4664     9.0810    10.0517     6.5469 
   H  49    7.4867     8.4541     6.9830     8.5857     9.5006     5.7470 
   H  50    8.2013     9.1783     7.7334     9.3424    10.2671     6.5338 
   H  51    6.8689     7.8654     6.5415     8.1578     9.1249     5.6148 
   H  52    6.1115     7.1045     5.7557     7.3731     8.3361     4.8211 
   H  53    9.0572    10.0420     8.6245    10.2380    11.1718     7.4597 
   H  54    9.7981    10.7875     9.3908    11.0065    11.9466     8.2505 
   H  55   10.3928    11.3894    10.0450    11.6630    12.6191     8.9864 
   H  56   10.3998    11.3997    10.1333    11.7454    12.7201     9.2024 
   H  57    9.5242    10.5242     9.2665    10.8769    11.8538     8.3675 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.9449     0.0000 
   C  21    4.7650     2.9449     0.0000 
   C  22    2.0000     4.8207     5.9655     0.0000 
   C  23    1.7320     4.6746     6.2983     1.0000     0.0000 
   C  24    3.3577     1.0000     3.8168     5.3402     5.0173     0.0000 
   C  25    5.5849     3.3576     0.9999     6.9085     7.1833     4.0684 
   C  26    5.5678     7.9852    10.3151     5.1962     4.3589     7.8306 
   C  27    6.2450     8.4484    10.9308     6.0828     5.1962     8.1838 
   C  28    4.5826     6.9906     9.3208     4.3589     3.4641     6.8586 
   C  29    7.2111     9.4484    11.9166     6.9282     6.0828     9.1789 
   C  30    3.0000     5.6886     7.7636     2.6457     1.7320     5.7539 
   C  31    7.9373     9.9942    12.5733     7.8102     6.9282     9.6389 
   H  32    1.4759     1.8700     3.2937     3.0443     3.1103     2.6333 
   H  33    2.9521     1.4759     1.8700     4.4104     4.5790     2.4757 
   H  34    1.8699     3.2936     3.7515     2.2406     2.7741     4.1111 
   H  35    3.5452     3.6492     2.5549     3.9495     4.5790     4.6367 
   H  36    4.4556     3.5577     1.3811     5.2198     5.7423     4.5414 
   H  37    4.9286     4.3887     2.1727     5.3814     6.0270     5.3815 
   H  38    4.2618     4.2216     2.6055     4.5414     5.2307     5.2198 
   H  39    2.2901     4.4530     4.9151     1.4158     2.2901     5.1902 
   H  40    2.8538     1.1766     4.1210     4.8523     4.4657     0.6200 
   H  41    3.7271     1.6200     4.3849     5.7266     5.3139     0.6200 
   H  42    3.8952     1.1766     3.5948     5.8531     5.5833     0.6200 
   H  43    5.2840     2.8538     1.1765     6.7428     6.9358     3.4989 
   H  44    6.1203     3.7270     1.6200     7.5006     7.7462     4.3342 
   H  45    5.9356     3.8951     1.1766     7.1245     7.4743     4.6507 
   H  46    3.1407     6.0735     7.6687     1.8397     1.4158     6.3578 
   H  47    6.5416     8.5846    11.1591     6.5339     5.6149     8.2503 
   H  48    5.7557     7.8713    10.3991     5.7469     4.8211     7.5837 
   H  49    5.3984     7.9611    10.1633     4.8211     4.0507     7.8843 
   H  50    6.1177     8.5870    10.8764     5.6148     4.8281     8.4460 
   H  51    4.8385     7.0574     9.5153     4.8281     3.8917     6.8376 
   H  52    4.0630     6.3898     8.7702     4.0507     3.1022     6.2418 
   H  53    6.9830     9.3545    11.7268     6.5470     5.7470     9.1496 
   H  54    7.7334    10.0312    12.4612     7.3421     6.5338     9.7800 
   H  55    8.3564    10.5051    13.0351     8.1044     7.2581    10.1803 
   H  56    8.4157    10.3667    13.0024     8.3704     7.4716     9.9639 
   H  57    7.5460     9.4964    12.1256     7.5557     6.6400     9.1076 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26   11.0801     0.0000 
   C  27   11.6465     1.0000     0.0000 
   C  28   10.0811     1.0000     1.7320     0.0000 
   C  29   12.6405     1.7320     1.0000     2.6457     0.0000 
   C  30    8.5799     2.6458     3.4641     1.7321     4.3589     0.0000 
   C  31   13.2535     2.6457     1.7320     3.4641     1.0000     5.1962 
   H  32    4.1110     7.0241     7.6645     6.0322     8.6427     4.4756 
   H  33    2.6332     8.4645     9.0644     7.4676    10.0522     5.9469 
   H  34    4.7176     7.0963     7.8761     6.1579     8.8017     4.4506 
   H  35    3.5468     8.9082     9.6811     7.9669    10.6117     6.2625 
   H  36    2.2990     9.9852    10.6972     9.0155    11.6557     7.3570 
   H  37    2.9824    10.3514    11.1137     9.4049    12.0505     7.7063 
   H  38    3.5391     9.5778    10.3668     8.6468    11.2888     6.9328 
   H  39    5.9000     6.6019     7.4716     5.7415     8.3334     4.0130 
   H  40    4.4884     7.2135     7.5784     6.2398     8.5750     5.1419 
   H  41    4.5638     7.7979     8.0777     6.8492     9.0634     5.8800 
   H  42    3.7050     8.4481     8.7912     7.4776     9.7848     6.3674 
   H  43    0.6200    10.7061    11.2365     9.7061    12.2340     8.2557 
   H  44    0.6201    11.5724    12.1105    10.5725    13.1076     9.1044 
   H  45    0.6200    11.4754    12.0744    10.4793    13.0637     8.9353 
   H  46    8.5727     3.5192     4.4726     2.8292     5.2330     1.4157 
   H  47   11.8381     1.5968     0.6200     2.1829     1.0812     3.8918 
   H  48   11.0954     1.0812     0.6200     1.4155     1.5967     3.1022 
   H  49   10.9638     0.6200     1.5967     1.0813     2.1828     2.4060 
   H  50   11.6557     0.6200     1.0813     1.5967     1.4156     3.1512 
   H  51   10.2346     1.0812     1.4155     0.6199     2.4059     2.1829 
   H  52    9.5118     1.5967     2.1829     0.6200     3.1512     1.4156 
   H  53   12.4835     1.4156     1.0813     2.4060     0.6200     4.0507 
   H  54   13.2004     2.1828     1.5967     3.1512     0.6200     4.8281 
   H  55   13.7374     2.9083     2.1115     3.8121     1.1766     5.5323 
   H  56   13.6565     3.2379     2.2900     4.0130     1.6199     5.7415 
   H  57   12.7814     2.5121     1.5200     3.1995     1.1766     4.9156 

              C  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   C  31    0.0000 
   H  32    9.3328     0.0000 
   H  33   10.7033     1.4809     0.0000 
   H  34    9.5992     1.4809     2.3961     0.0000 
   H  35   11.4007     2.4948     2.2248     1.8120     0.0000 
   H  36   12.3929     3.1173     2.1212     2.9940     1.3752     0.0000 
   H  37   12.8288     3.7177     2.9255     3.2576     1.4480     0.8768 
   H  38   12.0902     3.2030     2.7555     2.4910     0.7217     1.2400 
   H  39    9.2024     2.5864     3.6406     1.2445     2.6478     3.9869 
   H  40    9.0514     2.3579     2.5619     3.8294     4.5914     4.6804 
   H  41    9.4651     3.1732     3.0956     4.6537     5.2513     5.1544 
   H  42   10.2301     3.0129     2.5425     4.4616     4.7631     4.4847 
   H  43   12.8184     3.8294     2.3579     4.6147     3.6657     2.5575 
   H  44   13.6949     4.6538     3.1732     5.3229     4.1638     2.8956 
   H  45   13.7028     4.4616     3.0128     4.8974     3.5343     2.1906 
   H  46    6.1647     4.5218     5.9836     4.0285     5.7805     7.0225 
   H  47    1.4155     7.9250     9.2891     8.2352    10.0282    10.9956 
   H  48    2.1829     7.1510     8.5299     7.4392     9.2338    10.2111 
   H  49    3.1512     6.8712     8.3342     6.8195     8.6284     9.7553 
   H  50    2.4059     7.5829     9.0336     7.5895     9.4005    10.5081 
   H  51    3.1021     6.2504     7.6491     6.5058     8.3025     9.2936 
   H  52    3.8917     5.4918     6.9094     5.7105     7.5094     8.5144 
   H  53    1.5967     8.4374     9.8731     8.4993    10.3112    11.3990 
   H  54    1.0813     9.1781    10.6012     9.2787    11.0906    12.1636 
   H  55    0.6201     9.7744    11.1670     9.9701    11.7787    12.8076 
   H  56    0.6200     9.7876    11.1331    10.1117    11.9058    12.8677 
   H  57    0.6200     8.9126    10.2563     9.2551    11.0447    11.9959 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.8768     0.0000 
   H  39    4.0397     3.1789     0.0000 
   H  40    5.4837     5.2234     4.8275     0.0000 
   H  41    5.9981     5.8390     5.6877     0.8768     0.0000 
   H  42    5.3496     5.2894     5.5983     1.2400     0.8767     0.0000 
   H  43    3.3345     3.7757     5.8345     3.9496     3.9734     3.1073 
   H  44    3.5338     4.1336     6.5130     4.8074     4.7775     3.9025 
   H  45    2.7275     3.4004     6.0289     5.0459     5.1611     4.3090 
   H  46    7.2177     6.3808     3.2380     5.7827     6.6042     6.9405 
   H  47   11.4488    10.7243     7.9028     7.6571     8.0982     8.8470 
   H  48   10.6563     9.9287     7.1101     6.9813     7.4673     8.1887 
   H  49   10.0760     9.2806     6.2362     7.2643     7.9001     8.5042 
   H  50   10.8471    10.0587     7.0292     7.8282     8.4172     9.0639 
   H  51    9.7278     8.9959     6.1817     6.2253     6.7722     7.4511 
   H  52    8.9373     8.2011     5.3920     5.6234     6.2293     6.8603 
   H  53   11.7563    10.9750     7.9605     8.5374     9.0757     9.7628 
   H  54   12.5341    11.7584     8.7550     9.1738     9.6730    10.3878 
   H  55   13.2152    12.4587     9.5100     9.5868    10.0239    10.7767 
   H  56   13.3262    12.6013     9.7539     9.3883     9.7574    10.5445 
   H  57   12.4614    11.7429     8.9275     8.5276     8.9145     9.6924 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.8768     0.0000 
   H  45    1.2400     0.8769     0.0000 
   H  46    8.3415     9.1433     8.8415     0.0000 
   H  47   11.4048    12.2812    12.2875     4.9904     0.0000 
   H  48   10.6742    11.5495    11.5346     4.2428     0.7971     0.0000 
   H  49   10.6182    11.4758    11.3327     3.0691     2.2064     1.6888 
   H  50   11.2914    12.1551    12.0410     3.8653     1.6889     1.4515 
   H  51    9.8304    10.7032    10.6596     3.3946     1.7321     0.9350 
   H  52    9.1251     9.9942     9.9222     2.7169     2.5292     1.7320 
   H  53   12.1003    12.9692    12.8851     4.7999     1.4516     1.6889 
   H  54   12.8034    13.6753    13.6140     5.5965     1.6888     2.2063 
   H  55   13.3151    14.1907    14.1742     6.3988     1.9301     2.6421 
   H  56   13.2057    14.0825    14.1201     6.7522     1.8776     2.6726 
   H  57   12.3330    13.2097    13.2438     5.9861     1.0254     1.8217 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.7970     0.0000 
   H  51    1.4515     1.6888     0.0000 
   H  52    1.6889     2.2063     0.7971     0.0000 
   H  53    1.7320     0.9351     2.3121     2.9753     0.0000 
   H  54    2.5290     1.7320     2.9752     3.6917     0.7970     0.0000 
   H  55    3.3355     2.5475     3.5240     4.2936     1.6343     0.8924 
   H  56    3.7598     3.0231     3.6062     4.4026     2.2127     1.6309 
   H  57    3.0828     2.4200     2.7563     3.5532     1.7880     1.5201 

              H  55      H  56      H  57
              ---------------------------------
   H  55    0.0000 
   H  56    0.8768     0.0000 
   H  57    1.2400     0.8768     0.0000 



ATOMIC CHARGES
   F   1   -0.2003423315
   O   2   -0.3458376434
   O   3   -0.4530872781
   O   4   -0.4549953022
   O   5   -0.2443580622
   O   6   -0.2511527799
   O   7   -0.2511536492
   O   8   -0.4501465540
   O   9   -0.2260765639
   N  10   -0.2662075591
   N  11   -0.1746692898
   N  12   -0.2330787263
   C  13    0.1869299119
   C  14    0.1696777097
   C  15    0.1801696108
   C  16    0.0990549361
   C  17   -0.0349772665
   C  18    0.0506698400
   C  19    0.3523849693
   C  20    0.3044628134
   C  21    0.3044030049
   C  22    0.1796991816
   C  23    0.1698781477
   C  24    0.0332443838
   C  25    0.0332434971
   C  26   -0.0184889963
   C  27   -0.0502294598
   C  28    0.0940637844
   C  29   -0.0558054051
   C  30    0.4057060581
   C  31   -0.0652748957
   H  32    0.0818733957
   H  33    0.0799465374
   H  34    0.0878881558
   H  35    0.0632217610
   H  36    0.0255727730
   H  37    0.0255727730
   H  38    0.0255727730
   H  39    0.0841563858
   H  40    0.0341585751
   H  41    0.0341585751
   H  42    0.0341585751
   H  43    0.0341585716
   H  44    0.0341585716
   H  45    0.0341585716
   H  46    0.1596825091
   H  47    0.0266247482
   H  48    0.0266247482
   H  49    0.0297909056
   H  50    0.0297909056
   H  51    0.0697798013
   H  52    0.0697798013
   H  53    0.0262659741
   H  54    0.0262659741
   H  55    0.0229775175
   H  56    0.0229775175
   H  57    0.0229775175


BOND ANGLES
  15    2   16   C3   O3   C3    108.001
  13    3   20   C3   O3   C2    120.001
  14    4   21   C3   O3   C2    120.002
  28    8   30   C3   O3   C2    119.998
  15   10   18   C3  Nar  Car    120.001
  15   10   19   C3  Nar  Car    120.001
  18   10   19  Car  Nar  Car    119.999
  19   11   23  Car  Nar  Car    120.001
  23   12   30  Car  Nam   C2    120.001
  23   12   46  Car  Nam   HC    120.002
  30   12   46   C2  Nam   HC    119.998
   3   13   14   O3   C3   C3    125.998
   3   13   15   O3   C3   C3    126.000
   3   13   32   O3   C3   HC     63.001
  14   13   15   C3   C3   C3    108.001
  14   13   32   C3   C3   HC    171.000
  15   13   32   C3   C3   HC     62.999
   4   14   13   O3   C3   C3    125.999
   4   14   16   O3   C3   C3    126.001
   4   14   33   O3   C3   HC     62.999
  13   14   16   C3   C3   C3    108.000
  13   14   33   C3   C3   HC     62.999
  16   14   33   C3   C3   HC    171.000
   2   15   10   O3   C3  Nar    126.001
   2   15   13   O3   C3   C3    107.997
   2   15   34   O3   C3   HC     63.004
  10   15   13  Nar   C3   C3    126.001
  10   15   34  Nar   C3   HC     62.997
  13   15   34   C3   C3   HC    171.002
   2   16   14   O3   C3   C3    108.000
   2   16   17   O3   C3   C3    125.999
   2   16   35   O3   C3   HC     62.999
  14   16   17   C3   C3   C3    126.001
  14   16   35   C3   C3   HC    171.000
  17   16   35   C3   C3   HC     62.999
  16   17   36   C3   C3   HC     90.004
  16   17   37   C3   C3   HC    179.974
  16   17   38   C3   C3   HC     90.004
  36   17   37   HC   C3   HC     89.993
  36   17   38   HC   C3   HC    179.974
  37   17   38   HC   C3   HC     90.000
  10   18   22  Nar  Car  Car    120.001
  10   18   39  Nar  Car   HC    120.002
  22   18   39  Car  Car   HC    119.997
   5   19   10   O2  Car  Nar    120.001
   5   19   11   O2  Car  Nar    119.998
  10   19   11  Nar  Car  Nar    120.001
   3   20    6   O3   C2   O2    120.001
   3   20   24   O3   C2   C3    120.001
   6   20   24   O2   C2   C3    119.998
   4   21    7   O3   C2   O2    119.995
   4   21   25   O3   C2   C3    120.007
   7   21   25   O2   C2   C3    119.999
   1   22   18    F  Car  Car    119.998
   1   22   23    F  Car  Car    120.001
  18   22   23  Car  Car  Car    120.001
  11   23   12  Nar  Car  Nam    120.001
  11   23   22  Nar  Car  Car    119.999
  12   23   22  Nam  Car  Car    120.001
  20   24   40   C2   C3   HC     89.999
  20   24   41   C2   C3   HC    179.974
  20   24   42   C2   C3   HC     90.004
  40   24   41   HC   C3   HC     89.997
  40   24   42   HC   C3   HC    179.974
  41   24   42   HC   C3   HC     90.000
  21   25   43   C2   C3   HC     89.999
  21   25   44   C2   C3   HC    179.974
  21   25   45   C2   C3   HC     90.001
  43   25   44   HC   C3   HC     89.993
  43   25   45   HC   C3   HC    179.974
  44   25   45   HC   C3   HC     90.007
  27   26   28   C3   C3   C3    120.001
  27   26   49   C3   C3   HC    159.993
  27   26   50   C3   C3   HC     80.004
  28   26   49   C3   C3   HC     80.006
  28   26   50   C3   C3   HC    159.996
  49   26   50   HC   C3   HC     79.990
  26   27   29   C3   C3   C3    120.001
  26   27   47   C3   C3   HC    160.002
  26   27   48   C3   C3   HC     79.995
  29   27   47   C3   C3   HC     79.997
  29   27   48   C3   C3   HC    160.004
  47   27   48   HC   C3   HC     80.007
   8   28   26   O3   C3   C3    119.998
   8   28   51   O3   C3   HC    160.007
   8   28   52   O3   C3   HC     79.998
  26   28   51   C3   C3   HC     79.995
  26   28   52   C3   C3   HC    160.004
  51   28   52   HC   C3   HC     80.009
  27   29   31   C3   C3   C3    120.001
  27   29   53   C3   C3   HC     80.006
  27   29   54   C3   C3   HC    159.996
  31   29   53   C3   C3   HC    159.993
  31   29   54   C3   C3   HC     80.004
  53   29   54   HC   C3   HC     79.990
   8   30    9   O3   C2   O2    119.998
   8   30   12   O3   C2  Nam    120.001
   9   30   12   O2   C2  Nam    120.001
  29   31   55   C3   C3   HC     90.004
  29   31   56   C3   C3   HC    179.974
  29   31   57   C3   C3   HC     90.001
  55   31   56   HC   C3   HC     89.995
  55   31   57   HC   C3   HC    179.974
  56   31   57   HC   C3   HC     90.000


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


CHIRAL ATOMS
  54   29   31   57    179.974
  54   29   31   57    179.974
  54   29   31   57    179.974
  54   29   31   57    179.974