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(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoate
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoate ID: AN-35595
CAS:86060-92-6
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1c(OC(=O)[C@@H](NC(=O)OCC2c3c(c4c2cccc4)cccc3)Cc2ccccc2)c(F)c(F)c(F)c1F	2733280
FORMULA: C30H20F5NO4
MASS: 553.4761
EXACT MASS: 553.1312492
INTERATOMIC DISTANCES

              F   1      F   2      F   3      F   4      F   5      O   6
              ------------------------------------------------------------------
   F   1    0.0000 
   F   2    3.4641     0.0000 
   F   3    4.0000     2.0000     0.0000 
   F   4    2.0000     4.0000     3.4641     0.0000 
   F   5    3.4641     3.4641     2.0000     2.0000     0.0000 
   O   6    4.5826     5.1962     7.0000     6.5575     7.5499     0.0000 
   O   7    5.1961     4.5826     6.5574     7.0000     7.5498     1.7320 
   O   8    2.0000     2.0000     3.4641     3.4641     4.0000     3.6056 
   O   9    3.6056     1.0001     3.0000     4.5826     4.3590     4.3589 
   N  10    3.4641     3.4641     5.2915     5.2915     6.0000     1.7320 
   C  11    6.0000     6.9282     8.7178     8.0000     9.1651     1.7320 
   C  12    5.6674     7.1027     8.7648     7.6480     8.9913     2.0886 
   C  13    6.9953     7.8523     9.6766     8.9952    10.1619     2.6767 
   C  14    6.5310     8.1006     9.7450     8.4853     9.9073     3.0608 
   C  15    7.2833     8.5175    10.2643     9.2659    10.5836     3.3317 
   C  16    5.5677     6.0828     7.9372     7.5498     8.5440     1.0000 
   C  17    4.7569     6.5637     8.0916     6.7097     8.1512     2.0885 
   C  18    7.7813     8.2682    10.1683     9.7766    10.8168     3.2683 
   C  19    6.6656     8.6300    10.1498     8.5424    10.1128     3.8369 
   C  20    8.3102     9.5340    11.2981    10.2865    11.6235     4.3390 
   C  21    4.9124     7.1855     8.5513     6.7547     8.3739     3.1059 
   C  22    8.7557     9.3087    11.2096    10.7548    11.8390     4.2897 
   C  23    5.9251     8.2119     9.5930     7.7264     9.3892     3.8551 
   C  24    8.9970     9.8993    11.7416    10.9917    12.2179     4.7436 
   C  25    3.6055     2.6458     4.5826     5.1962     5.5678     2.6457 
   C  26    4.3589     4.3589     6.2450     6.2450     7.0000     1.0000 
   C  27    4.5826     3.0000     5.0000     6.0828     6.2450     3.0000 
   C  28    5.0000     2.6458     4.5826     6.2450     6.0828     4.0000 
   C  29    3.0000     1.7321     3.6056     4.3590     4.5826     3.4641 
   C  30    4.5826     1.7321     3.6055     5.5678     5.1962     4.5826 
   C  31    6.0000     3.4641     5.2915     7.2111     6.9282     4.5826 
   C  32    5.2915     2.0000     3.4641     6.0000     5.2915     5.5678 
   C  33    6.5574     3.6055     5.1961     7.5498     7.0000     5.5678 
   C  34    6.2450     3.0000     4.3589     7.0000     6.2450     6.0000 
   C  35    1.7320     1.7320     2.6457     2.6458     3.0000     4.5826 
   C  36    1.0000     2.6457     3.0000     1.7321     2.6458     5.0000 
   C  37    2.6457     1.0000     1.7320     3.0000     2.6458     5.2915 
   C  38    3.0000     1.7320     1.0000     2.6458     1.7321     6.2450 
   C  39    1.7320     2.9999     2.6457     1.0001     1.7321     6.0000 
   C  40    2.6457     2.6457     1.7320     1.7321     1.0001     6.5574 
   H  41    5.3809     6.4171     8.1671     7.3809     8.5646     1.2582 
   H  42    5.5909     5.7470     7.6549     7.5384     8.3963     1.0813 
   H  43    6.1774     6.5339     8.4274     8.1542     9.1062     1.5968 
   H  44    7.7171     7.9484     9.8825     9.6976    10.6347     3.1407 
   H  45    4.2184     5.9445     7.4769     6.1938     7.5775     1.7040 
   H  46    8.5537     9.9607    11.6813    10.5074    11.9185     4.7842 
   H  47    7.2568     9.2490    10.7679     9.1140    10.7103     4.4126 
   H  48    4.4944     7.0008     8.2549     6.2715     7.9563     3.3698 
   H  49    9.2371     9.6140    11.5442    11.2324    12.2531     4.7128 
   H  50    6.1440     8.6188     9.9180     7.8634     9.5991     4.4379 
   H  51    9.6008    10.5151    12.3609    11.5931    12.8339     5.3634 
   H  52    3.0073     2.6008     4.4186     4.6695     5.2004     2.6009 
   H  53    5.1957     3.4978     5.4895     6.7004     6.8165     3.1670 
   H  54    4.6339     3.4978     5.4894     6.2748     6.6109     2.4267 
   H  55    2.9435     3.5191     5.2100     4.8399     5.7153     1.8397 
   H  56    3.9754     1.2347     3.2069     4.9562     4.6695     4.4187 
   H  57    6.3328     4.0131     5.8809     7.6541     7.4716     4.4187 
   H  58    5.2100     1.7732     2.9435     5.7153     4.8399     5.9770 
   H  59    7.1725     4.2101     5.7415     8.1661     7.5793     5.9770 
   H  60    6.7055     3.3533     4.4726     7.3297     6.4222     6.6200 

              O   7      O   8      O   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    3.6055     0.0000 
   O   9    3.6055     1.7321     0.0000 
   N  10    1.7320     2.0000     2.6457     0.0000 
   C  11    3.0000     5.2915     6.0827     3.4641     0.0000 
   C  12    3.6779     5.3007     6.3452     3.7046     1.0000     0.0000 
   C  13    3.6779     6.2696     6.9764     4.3965     1.0001     1.6181 
   C  14    4.5663     6.2821     7.3448     4.7030     1.6180     0.9999 
   C  15    4.5663     6.8112     7.6904     5.0579     1.6180     1.6180 
   C  16    2.0000     4.5826     5.1961     2.6457     1.0000     1.7820 
   C  17    3.8195     4.6540     5.9065     3.3569     1.8587     1.0416 
   C  18    3.8195     6.8513     7.3380     4.8897     1.8588     2.6437 
   C  19    5.4539     6.7218     7.9502     5.3516     2.6083     1.7760 
   C  20    5.4539     7.8487     8.6902     6.0704     2.6083     2.6437 
   C  21    4.8370     5.2091     6.6246     4.2002     2.7661     1.8001 
   C  22    4.8370     7.8839     8.3755     5.9289     2.7661     3.3792 
   C  23    5.5701     6.2431     7.6250     5.1368     3.0556     2.0693 
   C  24    5.5701     8.3388     9.0034     6.4549     3.0557     3.3792 
   C  25    2.0000     1.7321     1.7320     1.0000     4.3589     4.6797 
   C  26    1.0000     3.0000     3.4641     1.0000     2.6457     3.0883 
   C  27    1.7320     2.6458     2.0000     1.7320     4.5826     5.0881 
   C  28    2.6457     3.0000     1.7320     2.6457     5.5678     6.0881 
   C  29    2.9999     1.0001     1.0000     1.7320     5.1961     5.3932 
   C  30    3.4641     2.6458     1.0000     3.0000     6.2450     6.6521 
   C  31    3.0000     4.0000     2.6457     3.4641     6.0000     6.6373 
   C  32    4.3589     3.4641     1.7320     4.0000     7.2111     7.6437 
   C  33    4.0000     4.5826     2.9999     4.3589     7.0000     7.6308 
   C  34    4.5826     4.3589     2.6457     4.5826     7.5498     8.0880 
   C  35    4.5826     1.0000     2.0000     3.0000     6.2450     6.1874 
   C  36    5.2915     1.7320     3.0000     3.6055     6.5574     6.3478 
   C  37    5.0000     1.7320     1.7321     3.6056     7.0000     7.0327 
   C  38    6.0000     2.6457     2.6458     4.5826     7.9372     7.9149 
   C  39    6.2449     2.6457     3.6055     4.5826     7.5498     7.3131 
   C  40    6.5574     2.9999     3.4641     5.0000     8.1853     8.0409 
   H  41    2.7741     4.7228     5.6051     2.9634     0.6200     0.9064 
   H  42    1.4332     4.3998     4.8211     2.4059     1.5967     2.3986 
   H  43    2.1944     5.1245     5.6148     3.1512     1.0812     2.0508 
   H  44    3.4169     6.6425     6.9952     4.6513     2.0230     2.9362 
   H  45    3.4168     4.0352     5.2965     2.7776     2.0229     1.4558 
   H  46    5.9928     8.2201     9.1430     6.5062     3.0736     2.9362 
   H  47    5.9928     7.3417     8.5640     5.9578     3.0736     2.3300 
   H  48    5.0756     5.0039     6.5150     4.2317     3.2869     2.3594 
   H  49    5.0757     8.2739     8.6607     6.2941     3.2870     3.9632 
   H  50    6.1613     6.6313     8.0772     5.6472     3.6740     2.6892 
   H  51    6.1613     8.9587     9.6153     7.0734     3.6741     3.9631 
   H  52    2.3716     1.2347     1.8397     0.8743     4.3318     4.5201 
   H  53    1.6278     3.2657     2.5068     2.1828     4.6147     5.2248 
   H  54    1.1266     2.8114     2.5068     1.4156     3.9716     4.5079 
   H  55    2.2901     1.7732     2.8292     0.6201     3.5192     3.5883 
   H  56    3.5192     2.0699     0.3799     2.7431     6.1257     6.4453 
   H  57    2.7431     4.3434     3.1408     3.5192     5.7153     6.4205 
   H  58    4.8708     3.5191     1.8397     4.3433     7.6540     8.0316 
   H  59    4.3433     5.1928     3.6200     4.8708     7.3297     8.0117 
   H  60    5.1927     4.8708     3.1407     5.1927     8.1660     8.7080 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.6181     0.0000 
   C  15    1.0000     1.0000     0.0000 
   C  16    1.7821     2.5876     2.5876     0.0000 
   C  17    2.6437     1.7759     2.6082     2.2729     0.0000 
   C  18    1.0416     2.6083     1.7760     2.2730     3.6489     0.0000 
   C  19    2.6437     1.0416     1.8587     3.5285     2.0693     3.5958 
   C  20    1.7760     1.8588     1.0417     3.5285     3.5958     2.0693 
   C  21    3.3792     2.0693     3.0556     3.3014     1.0415     4.4192 
   C  22    1.8001     3.0557     2.0694     3.3015     4.4192     1.0415 
   C  23    3.3792     1.8001     2.7661     3.8166     1.8001     4.3972 
   C  24    2.0693     2.7662     1.8002     3.8167     4.3972     1.8001 
   C  25    5.2445     5.6742     5.9716     3.4641     4.3566     5.6232 
   C  26    3.5129     4.0553     4.2636     1.7320     3.0121     3.9234 
   C  27    5.3565     6.0499     6.1914     3.6055     4.9493     5.5512 
   C  28    6.3141     7.0483     7.1701     4.5826     5.9335     6.4441 
   C  29    6.1232     6.3929     6.7871     4.3589     4.9168     6.5678 
   C  30    7.0609     7.6388     7.8623     5.2915     6.3563     7.2830 
   C  31    6.6373     7.5554     7.5554     5.0000     6.6123     6.6123 
   C  32    8.0020     8.6272     8.8257     6.2450     7.3562     8.1703 
   C  33    7.6308     8.5534     8.5534     6.0000     7.5785     7.5785 
   C  34    8.2594     9.0462     9.1414     6.5574     7.9138     8.3036 
   C  35    7.2317     7.1510     7.7329     5.5677     5.4640     7.8394 
   C  36    7.5571     7.2617     7.9451     6.0000     5.5081     8.2620 
   C  37    7.9670     8.0134     8.5367     6.2450     6.3692     8.4951 
   C  38    8.9141     8.8818     9.4488     7.2111     7.1946     9.4701 
   C  39    8.5498     8.2100     8.9179     6.9999     6.4448     9.2615 
   C  40    9.1801     8.9712     9.6232     7.5498     7.2282     9.8228 
   H  41    1.6154     1.8211     2.1026     0.9063     1.4226     2.4608 
   H  42    2.2510     3.2016     3.1346     0.6200     2.8114     2.5212 
   H  43    1.4934     2.6728     2.4336     0.6200     2.7361     1.7409 
   H  44    1.4558     3.0736     2.3299     2.1494     3.8790     0.6200 
   H  45    2.9362     2.3299     3.0735     2.1494     0.6200     3.8790 
   H  46    2.3300     2.0231     1.4559     4.0335     3.7989     2.6893 
   H  47    2.9362     1.4559     2.0230     4.0335     2.6893     3.7989 
   H  48    3.9632     2.6893     3.6741     3.7134     1.4558     4.9986 
   H  49    2.3594     3.6742     2.6894     3.7135     4.9986     1.4558 
   H  50    3.9631     2.3593     3.2868     4.4332     2.3593     4.9675 
   H  51    2.6892     3.2869     2.3594     4.4332     4.9675     2.3593 
   H  52    5.2701     5.5199     5.9167     3.5192     4.0700     5.7553 
   H  53    5.3033     6.1513     6.1926     3.6166     5.2053     5.3814 
   H  54    4.7368     5.4584     5.5769     2.9898     4.4304     4.9397 
   H  55    4.4965     4.5839     5.0547     2.8292     3.0779     5.1022 
   H  56    6.9918     7.4421     7.7410     5.2100     6.0619     7.3011 
   H  57    6.2837     7.3028     7.2289     4.7206     6.4904     6.1812 
   H  58    8.4764     9.0239     9.2719     6.7056     7.6785     8.6901 
   H  59    7.9025     8.9094     8.8489     6.3328     8.0211     7.7730 
   H  60    8.8675     9.6657     9.7549     7.1725     8.5296     8.8924 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.3699     0.0000 
   C  21    1.8002     3.9012     0.0000 
   C  22    3.9012     1.8002     5.0547     0.0000 
   C  23    1.0416     3.3968     1.0417     4.8354     0.0000 
   C  24    3.3968     1.0416     4.8354     1.0417     4.4109     0.0000 
   C  25    6.3472     6.9640     5.1855     6.6633     6.1332     7.2730 
   C  26    4.8341     5.2415     3.9868     4.9649     4.8053     5.5436 
   C  27    6.8310     7.1252     5.8644     6.5686     6.7491     7.2932 
   C  28    7.8301     8.0880     6.8293     7.4428     7.7318     8.2110 
   C  29    6.9684     7.8021     5.6246     7.6093     6.6265     8.1750 
   C  30    8.3416     8.8199     7.1685     8.3004     8.1287     9.0197 
   C  31    8.4075     8.4075     7.5592     7.5592     8.4092     8.4093 
   C  32    9.3396     9.7693     8.1630     9.1731     9.1272     9.9290 
   C  33    9.3986     9.3986     8.5082     8.5083     9.3779     9.3779 
   C  34    9.8288    10.0354     8.7828     9.2678     9.7077    10.0936 
   C  35    7.5136     8.7737     5.9061     8.8689     6.9478     9.2990 
   C  36    7.4885     8.9837     5.7775     9.2688     6.8071     9.6008 
   C  37    8.4321     9.5721     6.8651     9.5344     7.9058    10.0350 
   C  38    9.2397    10.4881     7.6077    10.5075     8.6485    10.9834 
   C  39    8.3874     9.9540     6.6428    10.2670     7.6571    10.5882 
   C  40    9.2193    10.6644     7.5083    10.8471     8.5359    11.2401 
   H  41    2.6808     3.1313     2.4241     3.3854     2.9112     3.6536 
   H  42    4.1485     4.0255     3.8511     3.5619     4.4177     4.2006 
   H  43    3.6832     3.2668     3.7300     2.7822     4.1198     3.4040 
   H  44    4.0933     2.6893     4.7361     1.4558     4.8261     2.3594 
   H  45    2.6893     4.0933     1.4558     4.7361     2.3594     4.8261 
   H  46    2.2495     0.6200     3.9421     2.3594     3.2898     1.4558 
   H  47    0.6200     2.2495     2.3594     3.9421     1.4558     3.2898 
   H  48    2.3594     4.5187     0.6200     5.6622     1.4559     5.4554 
   H  49    4.5187     2.3594     5.6622     0.6200     5.4554     1.4559 
   H  50    1.4559     3.8119     1.4559     5.3471     0.6200     4.8461 
   H  51    3.8119     1.4559     5.3471     1.4559     4.8461     0.6200 
   H  52    6.1105     6.9349     4.8211     6.7957     5.8052     7.3293 
   H  53    6.9932     7.0793     6.1656     6.3716     6.9996     7.1588 
   H  54    6.2635     6.5063     5.3784     5.9614     6.2286     6.6757 
   H  55    5.1295     6.0882     3.8229     6.1281     4.8053     6.5657 
   H  56    8.0866     8.7263     6.8191     8.3330     7.8052     8.9965 
   H  57    8.1965     8.0398     7.4715     7.0989     8.2727     7.9813 
   H  58    9.6944    10.2341     8.4382     9.7026     9.4251    10.4331 
   H  59    9.7863     9.6554     8.9736     8.6659     9.8158     9.5714 
   H  60   10.4485    10.6431     9.3923     9.8474    10.3222    10.6858 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.7320     0.0000 
   C  27    1.0000     2.0000     0.0000 
   C  28    1.7320     3.0000     1.0000     0.0000 
   C  29    1.0000     2.6457     1.7320     2.0000     0.0000 
   C  30    2.0000     3.6055     1.7320     1.0000     1.7320     0.0000 
   C  31    2.6457     3.6055     1.7320     1.0000     2.9999     1.7320 
   C  32    3.0000     4.5826     2.6457     1.7320     2.6457     1.0000 
   C  33    3.4641     4.5826     2.6457     1.7320     3.6055     2.0000 
   C  34    3.6055     5.0000     3.0000     2.0000     3.4641     1.7320 
   C  35    2.6458     4.0000     3.4641     3.6055     1.7321     3.0000 
   C  36    3.4641     4.5826     4.3589     4.5826     2.6458     4.0000 
   C  37    3.0000     4.5826     3.6055     3.4641     2.0000     2.6458 
   C  38    4.0000     5.5677     4.5826     4.3589     3.0000     3.4641 
   C  39    4.3589     5.5677     5.1961     5.2915     3.4641     4.5826 
   C  40    4.5826     6.0000     5.2915     5.1961     3.6055     4.3589 
   H  41    3.9011     2.2406     4.2301     5.2279     4.6883     5.8389 
   H  42    3.1022     1.4156     3.1102     4.0630     4.0507     4.8263 
   H  43    3.8917     2.1829     3.8982     4.8385     4.8281     5.6193 
   H  44    5.3068     3.6594     5.1426     5.9978     6.2774     6.8714 
   H  45    3.7739     2.5359     4.4143     5.3864     4.3042     5.7704 
   H  46    7.4265     5.7194     7.6390     8.6126     8.2324     9.3165 
   H  47    6.9511     5.4123     7.4120     8.4119     7.5842     8.9421 
   H  48    5.1859     4.1643     5.9425     6.8775     5.5190     7.1320 
   H  49    6.9715     5.3100     6.7947     7.6259     7.9386     8.5190 
   H  50    6.6367     5.3711     7.2910     8.2651     7.0772     8.6229 
   H  51    7.8859     6.1580     7.8885     8.7968     8.7920     9.6175 
   H  52    0.6201     1.8397     1.6200     2.2901     0.8743     2.3716 
   H  53    1.5967     2.1943     0.6200     1.0813     2.3451     2.0296 
   H  54    1.0813     1.4332     0.6200     1.5967     2.0295     2.3451 
   H  55    1.4158     1.4158     2.2901     3.1408     1.8397     3.3533 
   H  56    1.7733     3.4849     1.8397     1.4158     1.2346     0.6201 
   H  57    2.8292     3.4849     1.8397     1.4158     3.3533     2.2901 
   H  58    3.3533     5.0104     3.1408     2.2901     2.8292     1.4158 
   H  59    4.0130     5.0104     3.1408     2.2901     4.2100     2.6200 
   H  60    4.2100     5.6200     3.6200     2.6200     4.0130     2.2901 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    2.0000     0.0000 
   C  33    1.0000     1.7320     0.0000 
   C  34    1.7320     1.0000     1.0000     0.0000 
   C  35    4.5826     3.6056     5.0000     4.5826     0.0000 
   C  36    5.5677     4.5826     6.0000     5.5677     1.0000     0.0000 
   C  37    4.3589     3.0000     4.5826     4.0000     1.0000     1.7320 
   C  38    5.1961     3.6055     5.2915     4.5826     1.7320     2.0000 
   C  39    6.2449     5.0000     6.5574     6.0000     1.7320     1.0000 
   C  40    6.0827     4.5826     6.2449     5.5677     2.0000     1.7320 
   H  41    5.7451     6.8213     6.7412     7.2253     5.6628     5.9490 
   H  42    4.4225     5.7557     5.4216     6.0148     5.3984     5.9239 
   H  43    5.1441     6.5415     6.1381     6.7707     6.1177     6.5860 
   H  44    6.1039     7.7294     7.0558     7.8120     7.6398     8.1291 
   H  45    6.1038     6.7694     7.0558     7.3531     4.8545     4.9318 
   H  46    8.9655    10.2771     9.9600    10.5745     9.1209     9.2730 
   H  47    8.9654     9.9390     9.9600    10.4117     8.1303     8.0921 
   H  48    7.6629     8.1149     8.5852     8.7904     5.6219     5.4023 
   H  49    7.6629     9.3574     8.5852     9.3876     9.2670     9.7114 
   H  50    8.9680     9.6181     9.9287    10.2285     7.2812     7.0642 
   H  51    8.9680    10.5191     9.9287    10.6627     9.9182    10.2142 
   H  52    3.2380     3.3533     4.0130     4.0601     2.2146     2.9435 
   H  53    1.4156     2.8114     2.4060     2.9561     4.0761     4.9779 
   H  54    2.1828     3.2657     3.1512     3.5889     3.7221     4.5430 
   H  55    4.0130     4.3433     4.8708     5.0104     2.7430     3.2069 
   H  56    2.2901     1.4158     2.6200     2.2901     2.3800     3.3799 
   H  57    0.6201     2.6200     1.4158     2.2901     5.0105     5.9770 
   H  58    2.6200     0.6201     2.2901     1.4158     3.4849     4.4186 
   H  59    1.4158     2.2901     0.6201     1.4158     5.6200     6.6200 
   H  60    2.2901     1.4158     1.4158     0.6200     5.0104     5.9770 

              C  37      C  38      C  39      C  40      H  41      H  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    1.0000     0.0000 
   C  39    2.0000     1.7320     0.0000 
   C  40    1.7320     1.0000     1.0000     0.0000 
   H  41    6.4423     7.3665     6.9392     7.5888     0.0000 
   H  42    5.9981     6.9830     6.9193     7.3967     1.5091     0.0000 
   H  43    6.7558     7.7335     7.5855     8.1090     1.3136     0.7971 
   H  44    8.2397     9.2269     9.1283     9.6360     2.5620     2.2455 
   H  45    5.7527     6.5861     5.8827     6.6433     1.4574     2.5974 
   H  46    9.9505    10.8458    10.2278    10.9740     3.5441     4.5599 
   H  47    9.0512     9.8553     8.9825     9.8238     3.2219     4.6507 
   H  48    6.6024     7.2909     6.2250     7.1230     2.8784     4.2220 
   H  49    9.8926    10.8758    10.7112    11.2568     3.8999     3.8946 
   H  50    8.2566     8.9561     7.8705     8.7806     3.5272     5.0315 
   H  51   10.6548    11.6034    11.2001    11.8573     4.2694     4.8057 
   H  52    2.7430     3.7288     3.8786     4.2028     3.8164     3.2553 
   H  53    4.1713     5.1332     5.8077     5.8749     4.3363     3.0609 
   H  54    4.0024     4.9969     5.4395     5.6350     3.6373     2.4902 
   H  55    3.4849     4.4186     4.2028     4.7206     2.9576     2.7170 
   H  56    2.0698     2.9435     3.9754     3.7979     5.6744     4.7986 
   H  57    4.8708     5.7415     6.7055     6.6018     5.5171     4.1202 
   H  58    2.7430     3.2069     4.7206     4.2028     7.2351     6.2417 
   H  59    5.1928     5.8809     7.1725     6.8428     7.1124     5.7366 
   H  60    4.3433     4.8212     6.3328     5.8193     7.8448     6.6257 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    1.5448     0.0000 
   H  45    2.7006     4.0183     0.0000 
   H  46    3.8218     3.3093     4.3451     0.0000 
   H  47    4.1250     4.3451     3.3093     1.9731     0.0000 
   H  48    4.1918     5.2874     1.6658     4.5445     2.8788     0.0000 
   H  49    3.1494     1.6658     5.2874     2.8788     4.5445     6.2667 
   H  50    4.7397     5.4158     2.8787     3.6205     1.6658     1.6657 
   H  51    4.0087     2.8787     5.4158     1.6658     3.6205     5.9661 
   H  52    4.0149     5.4983     3.4635     7.3602     6.7244     4.7621 
   H  53    3.8149     4.9231     4.7100     7.6205     7.5541     6.2967 
   H  54    3.2787     4.5434     3.9226     7.0227     6.8365     5.5009 
   H  55    3.3947     4.9319     2.4674     6.4784     5.7460     3.7831 
   H  56    5.5955     6.9315     5.4599     9.1965     8.6961     6.7387 
   H  57    4.7983     5.6489     6.0188     8.6127     8.7349     7.6245 
   H  58    7.0341     8.2668     7.0785    10.7270    10.3011     8.3479 
   H  59    6.4181     7.2253     7.5180    10.2309    10.3339     9.0780 
   H  60    7.3770     8.3916     7.9661    11.1855    11.0317     9.3908 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    5.9661     0.0000 
   H  51    1.6657     5.2371     0.0000 
   H  52    7.1496     6.2769     7.9477     0.0000 
   H  53    6.5460     7.5634     7.7383     2.2128     0.0000 
   H  54    6.2013     6.7852     7.2725     1.6310     0.7970     0.0000 
   H  55    6.5384     5.2788     7.1855     1.0000     2.7806     2.0286 
   H  56    8.5935     8.2746     9.6039     2.0000     2.2861     2.3981 
   H  57    7.1696     8.8489     8.5252     3.4458     1.3414     2.1355 
   H  58    9.9058     9.8934    11.0293     3.6200     3.3701     3.7574 
   H  59    8.6995    10.3785    10.1039     4.5802     2.8162     3.5955 
   H  60    9.9520    10.8398    11.2504     4.6469     3.5651     4.2079 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    3.0000     0.0000 
   H  57    4.1078     2.8060     0.0000 
   H  58    4.6200     1.6200     3.2401     0.0000 
   H  59    5.4054     3.2401     1.6200     2.8060     0.0000 
   H  60    5.6083     2.8059     2.8059     1.6200     1.6200     0.0000 




ATOMIC CHARGES
   F   1   -0.1983943224
   F   2   -0.1983943224
   F   3   -0.1992194516
   F   4   -0.1992194516
   F   5   -0.1992501002
   O   6   -0.4494406179
   O   7   -0.2264674279
   O   8   -0.4184553519
   O   9   -0.2482952729
   N  10   -0.2675778510
   C  11    0.0445939908
   C  12   -0.0290049350
   C  13   -0.0290049350
   C  14   -0.0137372205
   C  15   -0.0137372205
   C  16    0.1048365876
   C  17   -0.0573036677
   C  18   -0.0573036677
   C  19   -0.0537412211
   C  20   -0.0537412211
   C  21   -0.0614457661
   C  22   -0.0614457661
   C  23   -0.0611669520
   C  24   -0.0611669520
   C  25    0.1275611636
   C  26    0.4009568673
   C  27    0.0013276107
   C  28   -0.0450742518
   C  29    0.3334742712
   C  30   -0.0585004609
   C  31   -0.0585004609
   C  32   -0.0615004460
   C  33   -0.0615004460
   C  34   -0.0617416996
   C  35    0.2075537583
   C  36    0.2063578043
   C  37    0.2063578043
   C  38    0.2000557317
   C  39    0.2000557317
   C  40    0.1993125494
   H  41    0.0430859789
   H  42    0.0707292460
   H  43    0.0707292460
   H  44    0.0620668707
   H  45    0.0620668707
   H  46    0.0623704729
   H  47    0.0623704729
   H  48    0.0617671145
   H  49    0.0617671145
   H  50    0.0617762859
   H  51    0.0617762859
   H  52    0.0618680140
   H  53    0.0336526688
   H  54    0.0336526688
   H  55    0.1528576764
   H  56    0.0620296738
   H  57    0.0620296738
   H  58    0.0617664495
   H  59    0.0617664495
   H  60    0.0617583555


BOND ANGLES
  16    6   26   C3   O3   C2    120.001
  29    8   35   C2   O3  Car    120.001
  25   10   26   C3  Nam   C2    120.001
  25   10   55   C3  Nam   HC    119.997
  26   10   55   C2  Nam   HC    120.002
  12   11   13  Car   C3  Car    108.001
  12   11   16  Car   C3   C3    126.001
  12   11   41  Car   C3   HC     63.004
  13   11   16  Car   C3   C3    125.998
  13   11   41  Car   C3   HC    171.005
  16   11   41   C3   C3   HC     62.997
  11   12   14   C3  Car  Car    108.001
  11   12   17   C3  Car  Car    131.118
  14   12   17  Car  Car  Car    120.881
  11   13   15   C3  Car  Car    107.992
  11   13   18   C3  Car  Car    131.121
  15   13   18  Car  Car  Car    120.886
  12   14   15  Car  Car  Car    108.000
  12   14   19  Car  Car  Car    120.889
  15   14   19  Car  Car  Car    131.111
  13   15   14  Car  Car  Car    108.006
  13   15   20  Car  Car  Car    120.879
  14   15   20  Car  Car  Car    131.116
   6   16   11   O3   C3   C3    120.001
   6   16   42   O3   C3   HC     80.004
   6   16   43   O3   C3   HC    160.002
  11   16   42   C3   C3   HC    159.996
  11   16   43   C3   C3   HC     79.997
  42   16   43   HC   C3   HC     79.999
  12   17   21  Car  Car  Car    119.563
  12   17   45  Car  Car   HC    120.211
  21   17   45  Car  Car   HC    120.226
  13   18   22  Car  Car  Car    119.563
  13   18   44  Car  Car   HC    120.211
  22   18   44  Car  Car   HC    120.226
  14   19   23  Car  Car  Car    119.553
  14   19   47  Car  Car   HC    120.226
  23   19   47  Car  Car   HC    120.221
  15   20   24  Car  Car  Car    119.558
  15   20   46  Car  Car   HC    120.222
  24   20   46  Car  Car   HC    120.221
  17   21   23  Car  Car  Car    119.556
  17   21   48  Car  Car   HC    120.227
  23   21   48  Car  Car   HC    120.216
  18   22   24  Car  Car  Car    119.556
  18   22   49  Car  Car   HC    120.227
  24   22   49  Car  Car   HC    120.216
  19   23   21  Car  Car  Car    119.558
  19   23   50  Car  Car   HC    120.225
  21   23   50  Car  Car   HC    120.217
  20   24   22  Car  Car  Car    119.558
  20   24   51  Car  Car   HC    120.225
  22   24   51  Car  Car   HC    120.217
  10   25   27  Nam   C3   C3    120.001
  10   25   29  Nam   C3   C2    120.001
  10   25   52  Nam   C3   HC     60.003
  27   25   29   C3   C3   C2    119.999
  27   25   52   C3   C3   HC    179.974
  29   25   52   C2   C3   HC     59.998
   6   26    7   O3   C2   O2    120.001
   6   26   10   O3   C2  Nam    120.001
   7   26   10   O2   C2  Nam    119.999
  25   27   28   C3   C3  Car    120.001
  25   27   53   C3   C3   HC    159.993
  25   27   54   C3   C3   HC     80.004
  28   27   53  Car   C3   HC     80.006
  28   27   54  Car   C3   HC    159.996
  53   27   54   HC   C3   HC     79.990
  27   28   30   C3  Car  Car    120.001
  27   28   31   C3  Car  Car    120.001
  30   28   31  Car  Car  Car    119.999
   8   29    9   O3   C2   O2    119.998
   8   29   25   O3   C2   C3    120.001
   9   29   25   O2   C2   C3    120.001
  28   30   32  Car  Car  Car    120.001
  28   30   56  Car  Car   HC    120.002
  32   30   56  Car  Car   HC    119.997
  28   31   33  Car  Car  Car    120.001
  28   31   57  Car  Car   HC    120.002
  33   31   57  Car  Car   HC    119.997
  30   32   34  Car  Car  Car    120.001
  30   32   58  Car  Car   HC    119.997
  34   32   58  Car  Car   HC    120.002
  31   33   34  Car  Car  Car    120.001
  31   33   59  Car  Car   HC    119.997
  34   33   59  Car  Car   HC    120.002
  32   34   33  Car  Car  Car    119.999
  32   34   60  Car  Car   HC    120.001
  33   34   60  Car  Car   HC    120.001
   8   35   36   O3  Car  Car    119.999
   8   35   37   O3  Car  Car    120.001
  36   35   37  Car  Car  Car    120.001
   1   36   35    F  Car  Car    120.001
   1   36   39    F  Car  Car    120.001
  35   36   39  Car  Car  Car    119.999
   2   37   35    F  Car  Car    120.001
   2   37   38    F  Car  Car    119.999
  35   37   38  Car  Car  Car    120.001
   3   38   37    F  Car  Car    120.001
   3   38   40    F  Car  Car    120.001
  37   38   40  Car  Car  Car    119.999
   4   39   36    F  Car  Car    120.001
   4   39   40    F  Car  Car    119.998
  36   39   40  Car  Car  Car    120.001
   5   40   38    F  Car  Car    120.001
   5   40   39    F  Car  Car    119.998
  38   40   39  Car  Car  Car    120.001


TORSION ANGLES
  26    6   16   11    179.974
  26    6   16   42      0.026
  26    6   16   43      0.026
  16    6   26    7      0.026
  16    6   26   10    179.974
  35    8   29    9      0.026
  35    8   29   25    179.974
  29    8   35   36    179.974
  29    8   35   37      0.026
  27   25   10   26      0.026
  27   25   10   55    179.974
  29   25   10   26    179.974
  29   25   10   55      0.026
  52   25   10   26    179.974
  52   25   10   55      0.026
  25   10   26    6    179.974
  25   10   26    7      0.026
  55   10   26    6      0.026
  55   10   26    7    179.974
  13   11   12   14      0.026
  13   11   12   17    179.974
  16   11   12   14    179.974
  16   11   12   17      0.026
  41   11   12   14    179.974
  41   11   12   17      0.026
  12   11   13   15      0.026
  12   11   13   18    179.974
  16   11   13   15    179.974
  16   11   13   18      0.026
  41   11   13   15      0.026
  41   11   13   18    179.974
  12   11   16    6      0.026
  12   11   16   42    179.974
  12   11   16   43    179.974
  13   11   16    6    179.974
  13   11   16   42      0.026
  13   11   16   43      0.026
  41   11   16    6      0.026
  41   11   16   42    179.974
  41   11   16   43    179.974
  11   12   14   15      0.026
  11   12   14   19    179.974
  17   12   14   15    179.974
  17   12   14   19      0.026
  11   12   17   21    179.974
  11   12   17   45      0.026
  14   12   17   21      0.026
  14   12   17   45    179.974
  11   13   15   14      0.026
  11   13   15   20    179.974
  18   13   15   14    179.974
  18   13   15   20      0.026
  11   13   18   22    179.974
  11   13   18   44      0.026
  15   13   18   22      0.026
  15   13   18   44    179.974
  12   14   15   13      0.026
  12   14   15   20    179.974
  19   14   15   13    179.974
  19   14   15   20      0.026
  12   14   19   23      0.026
  12   14   19   47    179.974
  15   14   19   23    179.974
  15   14   19   47      0.026
  13   15   20   24      0.026
  13   15   20   46    179.974
  14   15   20   24    179.974
  14   15   20   46      0.026
  12   17   21   23      0.026
  12   17   21   48    179.974
  45   17   21   23    179.974
  45   17   21   48      0.026
  13   18   22   24      0.026
  13   18   22   49    179.974
  44   18   22   24    179.974
  44   18   22   49      0.026
  14   19   23   21      0.026
  14   19   23   50    179.974
  47   19   23   21    179.974
  47   19   23   50      0.026
  15   20   24   22      0.026
  15   20   24   51    179.974
  46   20   24   22    179.974
  46   20   24   51      0.026
  17   21   23   19      0.026
  17   21   23   50    179.974
  48   21   23   19    179.974
  48   21   23   50      0.026
  18   22   24   20      0.026
  18   22   24   51    179.974
  49   22   24   20    179.974
  49   22   24   51      0.026
  10   25   27   28    179.974
  10   25   27   53      0.026
  10   25   27   54      0.026
  29   25   27   28      0.026
  29   25   27   53    179.974
  29   25   27   54    179.974
  52   25   27   28      0.026
  52   25   27   53    179.974
  52   25   27   54    179.974
  10   25   29    8      0.026
  10   25   29    9    179.974
  27   25   29    8    179.974
  27   25   29    9      0.026
  52   25   29    8      0.026
  52   25   29    9    179.974
  25   27   28   30      0.026
  25   27   28   31    179.974
  53   27   28   30    179.974
  53   27   28   31      0.026
  54   27   28   30    179.974
  54   27   28   31      0.026
  27   28   30   32    179.974
  27   28   30   56      0.026
  31   28   30   32      0.026
  31   28   30   56    179.974
  27   28   31   33    179.974
  27   28   31   57      0.026
  30   28   31   33      0.026
  30   28   31   57    179.974
  28   30   32   34      0.026
  28   30   32   58    179.974
  56   30   32   34    179.974
  56   30   32   58      0.026
  28   31   33   34      0.026
  28   31   33   59    179.974
  57   31   33   34    179.974
  57   31   33   59      0.026
  30   32   34   33      0.026
  30   32   34   60    179.974
  58   32   34   33    179.974
  58   32   34   60      0.026
  31   33   34   32      0.026
  31   33   34   60    179.974
  59   33   34   32    179.974
  59   33   34   60      0.026
   8   35   36    1      0.026
   8   35   36   39    179.974
  37   35   36    1    179.974
  37   35   36   39      0.026
   8   35   37    2      0.026
   8   35   37   38    179.974
  36   35   37    2    179.974
  36   35   37   38      0.026
   1   36   39    4      0.026
   1   36   39   40    179.974
  35   36   39    4    179.974
  35   36   39   40      0.026
   2   37   38    3      0.026
   2   37   38   40    179.974
  35   37   38    3    179.974
  35   37   38   40      0.026
   3   38   40    5      0.026
   3   38   40   39    179.974
  37   38   40    5    179.974
  37   38   40   39      0.026
   4   39   40    5      0.026
   4   39   40   38    179.974
  36   39   40    5    179.974
  36   39   40   38      0.026


CHIRAL ATOMS
  36   39   40   38      0.026