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(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoate
(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoate ID: AN-35594
CAS:86060-88-0
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1c(OC(=O)C(NC(=O)OCC2c3c(c4c2cccc4)cccc3)CC(C)C)c(F)c(F)c(F)c1F	4559505
FORMULA: C27H22F5NO4
MASS: 519.4599
EXACT MASS: 519.1468993
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    6.2450     4.5826     6.5574     7.8102     7.9372     0.0000 
   O   7    2.0000     2.0000     3.4641     3.4641     4.0000     4.3589 
   O   8    5.1961     4.5826     6.5574     7.0000     7.5498     1.7320 
   O   9    3.6056     1.0000     2.9999     4.5826     4.3589     3.6056 
   N  10    4.5826     3.0000     5.0000     6.0828     6.2450     1.7320 
   C  11    7.9372     6.2450     8.1853     9.5394     9.6436     1.7320 
   C  12    8.2833     6.1874     8.0409     9.7461     9.6440     2.0886 
   C  13    8.7762     7.2317     9.1801    10.4403    10.6125     2.6767 
   C  14    9.5550     7.7329     9.6232    11.1403    11.1696     3.3317 
   C  15    9.2791     7.1510     8.9712    10.7446    10.6131     3.0608 
   C  16    7.0000     5.5677     7.5498     8.6602     8.8881     1.0000 
   C  17    3.4641     3.4641     5.2915     5.2915     6.0000     3.0000 
   C  18    2.6457     3.6055     5.1961     4.5826     5.5677     4.0000 
   C  19    3.6055     2.6458     4.5826     5.1962     5.5677     2.6457 
   C  20    7.8936     5.4640     7.2282     9.2033     8.9257     2.0885 
   C  21    9.0149     7.8394     9.8228    10.7843    11.1314     3.2683 
   C  22    9.9247     7.5136     9.2193    11.2713    10.9677     3.8369 
   C  23   10.5268     8.7737    10.6644    12.1477    12.2075     4.3390 
   C  24    8.6245     5.9061     7.5083     9.7916     9.3205     3.1059 
   C  25   10.0323     8.8689    10.8471    11.8174    12.1719     4.2897 
   C  26    9.6229     6.9478     8.5359    10.8255    10.3596     3.8551 
   C  27   10.7480     9.2990    11.2401    12.4656    12.6807     4.7436 
   C  28    2.9999     4.5826     6.0827     5.0000     6.2449     4.5826 
   C  29    1.7320     3.0000     4.3589     3.6056     4.5826     4.5826 
   C  30    5.2915     4.0000     6.0000     6.9282     7.2111     1.0000 
   C  31    3.0000     1.7321     3.6055     4.3589     4.5826     3.4641 
   C  32    1.7321     1.7320     2.6457     2.6457     2.9999     5.1962 
   C  33    1.0001     2.6457     2.9999     1.7320     2.6457     6.0828 
   C  34    2.6458     1.0000     1.7320     3.0000     2.6457     5.2915 
   C  35    3.0000     1.7320     1.0000     2.6457     1.7320     6.2450 
   C  36    1.7321     3.0000     2.6457     1.0000     1.7320     6.9282 
   C  37    2.6458     2.6457     1.7320     1.7320     1.0000     7.0000 
   H  38    7.5027     5.6628     7.5888     9.0452     9.0809     1.2582 
   H  39    6.5507     5.3984     7.3967     8.2754     8.6245     1.0813 
   H  40    7.3455     6.1177     8.1090     9.0713     9.3908     1.5968 
   H  41    3.7221     4.0761     5.8749     5.6351     6.4872     3.1670 
   H  42    4.0761     3.7221     5.6350     5.8749     6.4872     2.4267 
   H  43    2.2145     3.8242     5.2330     4.2029     5.3762     4.6200 
   H  44    3.8242     2.2146     4.2028     5.2330     5.3762     2.6009 
   H  45    8.6016     7.6398     9.6360    10.4152    10.8585     3.1407 
   H  46    7.2875     4.8545     6.6433     8.5835     8.3179     1.7040 
   H  47   11.0108     9.1209    10.9740    12.5888    12.5727     4.7842 
   H  48   10.5350     8.1303     9.8238    11.8908    11.5823     4.4126 
   H  49   10.2460     9.2670    11.2568    12.0756    12.5175     4.7128 
   H  50    8.5099     5.6219     7.1230     9.5681     8.9838     3.3698 
   H  51    4.8212     2.7430     4.7206     6.1648     6.1257     1.8397 
   H  52   10.0772     7.2812     8.7806    11.2087    10.6493     4.4379 
   H  53   11.3474     9.9182    11.8573    13.0763    13.3005     5.3634 
   H  54    2.4824     4.5067     5.8448     4.4738     5.8322     5.0675 
   H  55    2.1115     2.4825     4.0203     3.8025     4.5067     4.1338 
   H  56    1.2346     2.7430     3.8786     3.0074     3.9754     5.0104 
   H  57    1.5200     3.5505     4.7545     3.5087     4.7390     5.0675 
   H  58    3.3533     5.1928     6.6486     5.3371     6.7055     5.0104 
   H  59    3.5505     4.7390     6.3722     5.5456     6.6898     4.1338 

              O   7      O   8      O   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    3.6055     0.0000 
   O   9    1.7321     3.6055     0.0000 
   N  10    2.6457     1.7320     2.0000     0.0000 
   C  11    6.0827     3.0000     5.2915     3.4641     0.0000 
   C  12    6.3452     3.6779     5.3007     3.7046     1.0000     0.0000 
   C  13    6.9764     3.6779     6.2696     4.3965     1.0001     1.6181 
   C  14    7.6904     4.5663     6.8112     5.0579     1.6180     1.6180 
   C  15    7.3448     4.5663     6.2821     4.7030     1.6180     0.9999 
   C  16    5.1961     2.0000     4.5826     2.6457     1.0000     1.7820 
   C  17    2.0000     1.7320     2.6458     1.7320     4.5826     5.0881 
   C  18    1.7320     2.6457     3.0000     2.6457     5.5678     6.0881 
   C  19    1.7320     2.0000     1.7321     1.0000     4.3589     4.6797 
   C  20    5.9065     3.8195     4.6540     3.3569     1.8587     1.0416 
   C  21    7.3380     3.8195     6.8513     4.8897     1.8588     2.6437 
   C  22    7.9502     5.4539     6.7218     5.3516     2.6083     1.7760 
   C  23    8.6902     5.4539     7.8487     6.0704     2.6083     2.6437 
   C  24    6.6246     4.8370     5.2091     4.2002     2.7661     1.8001 
   C  25    8.3755     4.8370     7.8839     5.9289     2.7661     3.3792 
   C  26    7.6250     5.5701     6.2431     5.1368     3.0556     2.0693 
   C  27    9.0034     5.5701     8.3388     6.4549     3.0557     3.3792 
   C  28    2.6457     3.0000     4.0000     3.4641     6.0000     6.6373 
   C  29    1.0000     3.4641     2.6458     3.0000     6.2450     6.6521 
   C  30    3.4641     1.0000     3.0000     1.0000     2.6457     3.0883 
   C  31    1.0000     2.9999     1.0001     1.7320     5.1961     5.3932 
   C  32    1.0001     4.5826     2.0000     3.4641     6.9282     7.1027 
   C  33    1.7321     5.2915     3.0000     4.3589     7.8102     8.0389 
   C  34    1.7321     5.0000     1.7320     3.6056     7.0000     7.0327 
   C  35    2.6458     6.0000     2.6457     4.5826     7.9372     7.9149 
   C  36    2.6458     6.2450     3.6055     5.1962     8.6602     8.8210 
   C  37    3.0000     6.5574     3.4641     5.2915     8.7178     8.7648 
   H  38    5.6051     2.7741     4.7228     2.9634     0.6200     0.9064 
   H  39    4.8211     1.4332     4.3998     2.4059     1.5967     2.3986 
   H  40    5.6148     2.1944     5.1245     3.1512     1.0812     2.0508 
   H  41    2.5068     1.6278     3.2657     2.1828     4.6147     5.2248 
   H  42    2.5068     1.1266     2.8114     1.4156     3.9716     4.5079 
   H  43    1.8396     3.2380     3.3533     3.2380     6.1810     6.7080 
   H  44    1.8397     2.3716     1.2347     0.8743     4.3318     4.5201 
   H  45    6.9952     3.4169     6.6425     4.6513     2.0230     2.9362 
   H  46    5.2965     3.4168     4.0352     2.7776     2.0229     1.4558 
   H  47    9.1430     5.9928     8.2201     6.5062     3.0736     2.9362 
   H  48    8.5640     5.9928     7.3417     5.9578     3.0736     2.3300 
   H  49    8.6607     5.0757     8.2739     6.2941     3.2870     3.9632 
   H  50    6.5150     5.0756     5.0039     4.2317     3.2869     2.3594 
   H  51    2.8292     2.2901     1.7732     0.6201     3.5192     3.5883 
   H  52    8.0772     6.1613     6.6313     5.6472     3.6740     2.6892 
   H  53    9.6153     6.1613     8.9587     7.0734     3.6741     3.9631 
   H  54    2.5120     3.5505     4.0477     3.8121     6.5442     7.1422 
   H  55    0.5572     3.1994     2.0403     2.4824     5.8322     6.1751 
   H  56    0.8743     4.0130     2.6008     3.3533     6.7056     7.0506 
   H  57    1.5678     3.8121     3.2567     3.5505     6.6898     7.1510 
   H  58    3.2380     3.3533     4.6201     4.0130     6.3328     7.0279 
   H  59    2.9082     2.4824     4.0477     3.1994     5.4718     6.1534 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    1.6181     1.0000     0.0000 
   C  16    1.7821     2.5876     2.5876     0.0000 
   C  17    5.3565     6.1914     6.0499     3.6055     0.0000 
   C  18    6.3141     7.1701     7.0483     4.5826     1.0000     0.0000 
   C  19    5.2445     5.9716     5.6742     3.4641     1.0000     1.7320 
   C  20    2.6437     2.6082     1.7759     2.2729     4.9493     5.9335 
   C  21    1.0416     1.7760     2.6083     2.2730     5.5512     6.4441 
   C  22    2.6437     1.8587     1.0416     3.5285     6.8310     7.8301 
   C  23    1.7760     1.0417     1.8588     3.5285     7.1252     8.0880 
   C  24    3.3792     3.0556     2.0693     3.3014     5.8644     6.8293 
   C  25    1.8001     2.0694     3.0557     3.3015     6.5686     7.4428 
   C  26    3.3792     2.7661     1.8001     3.8166     6.7491     7.7318 
   C  27    2.0693     1.8002     2.7662     3.8167     7.2932     8.2110 
   C  28    6.6373     7.5554     7.5554     5.0000     1.7320     1.0000 
   C  29    7.0609     7.8623     7.6388     5.2915     1.7320     1.0000 
   C  30    3.5129     4.2636     4.0553     1.7320     2.0000     3.0000 
   C  31    6.1232     6.7871     6.3929     4.3589     1.7320     2.0000 
   C  32    7.8523     8.5175     8.1006     6.0828     3.0000     2.6458 
   C  33    8.7083     9.4141     9.0386     6.9282     3.6056     3.0000 
   C  34    7.9670     8.5367     8.0134     6.2450     3.6055     3.4641 
   C  35    8.9141     9.4488     8.8818     7.2111     4.5826     4.3589 
   C  36    9.5825    10.2484     9.8168     7.8102     4.5826     4.0000 
   C  37    9.6766    10.2643     9.7450     7.9372     5.0000     4.5826 
   H  38    1.6154     2.1026     1.8211     0.9063     4.2301     5.2279 
   H  39    2.2510     3.1346     3.2016     0.6200     3.1102     4.0630 
   H  40    1.4934     2.4336     2.6728     0.6200     3.8982     4.8385 
   H  41    5.3033     6.1926     6.1513     3.6166     0.6200     1.0813 
   H  42    4.7368     5.5769     5.4584     2.9898     0.6200     1.5967 
   H  43    6.9138     7.7797     7.6675     5.1927     1.6200     0.6200 
   H  44    5.2701     5.9167     5.5199     3.5192     1.6200     2.2901 
   H  45    1.4558     2.3299     3.0736     2.1494     5.1426     5.9978 
   H  46    2.9362     3.0735     2.3299     2.1494     4.4143     5.3864 
   H  47    2.3300     1.4559     2.0231     4.0335     7.6390     8.6126 
   H  48    2.9362     2.0230     1.4559     4.0335     7.4120     8.4119 
   H  49    2.3594     2.6894     3.6742     3.7135     6.7947     7.6259 
   H  50    3.9632     3.6741     2.6893     3.7134     5.9425     6.8775 
   H  51    4.4965     5.0547     4.5839     2.8292     2.2901     3.1408 
   H  52    3.9631     3.2868     2.3593     4.4332     7.2910     8.2651 
   H  53    2.6892     2.3594     3.2869     4.4332     7.8885     8.7968 
   H  54    7.2121     8.1162     8.0779     5.5456     2.1114     1.1766 
   H  55    6.6889     7.4490     7.1696     4.9080     1.5200     1.1766 
   H  56    7.5534     8.3229     8.0457     5.7745     2.2901     1.6200 
   H  57    7.4659     8.3013     8.1282     5.7166     2.1114     1.1766 
   H  58    6.9032     7.8489     7.9170     5.3371     2.2901     1.6200 
   H  59    6.0713     7.0044     7.0485     4.4738     1.5200     1.1766 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    4.3566     0.0000 
   C  21    5.6232     3.6489     0.0000 
   C  22    6.3472     2.0693     3.5958     0.0000 
   C  23    6.9640     3.5958     2.0693     2.3699     0.0000 
   C  24    5.1855     1.0415     4.4192     1.8002     3.9012     0.0000 
   C  25    6.6633     4.4192     1.0415     3.9012     1.8002     5.0547 
   C  26    6.1332     1.8001     4.3972     1.0416     3.3968     1.0417 
   C  27    7.2730     4.3972     1.8001     3.3968     1.0416     4.8354 
   C  28    2.6457     6.6123     6.6123     8.4075     8.4075     7.5592 
   C  29    2.0000     6.3563     7.2830     8.3416     8.8199     7.1685 
   C  30    1.7320     3.0121     3.9234     4.8341     5.2415     3.9868 
   C  31    1.0000     4.9168     6.5678     6.9684     7.8021     5.6246 
   C  32    2.6458     6.5637     8.2682     8.6300     9.5340     7.1855 
   C  33    3.4641     7.5361     9.0595     9.5981    10.4184     8.1780 
   C  34    3.0000     6.3692     8.4951     8.4321     9.5721     6.8651 
   C  35    4.0000     7.1946     9.4701     9.2397    10.4881     7.6077 
   C  36    4.3589     8.2455     9.9795    10.3148    11.2659     8.8106 
   C  37    4.5826     8.0916    10.1683    10.1498    11.2981     8.5513 
   H  38    3.9011     1.4226     2.4608     2.6808     3.1313     2.4241 
   H  39    3.1022     2.8114     2.5212     4.1485     4.0255     3.8511 
   H  40    3.8917     2.7361     1.7409     3.6832     3.2668     3.7300 
   H  41    1.5967     5.2053     5.3814     6.9932     7.0793     6.1656 
   H  42    1.0813     4.4304     4.9397     6.2635     6.5063     5.3784 
   H  43    2.2901     6.5461     7.0123     8.4496     8.6891     7.4323 
   H  44    0.6201     4.0700     5.7553     6.1105     6.9349     4.8211 
   H  45    5.3068     3.8790     0.6200     4.0933     2.6893     4.7361 
   H  46    3.7739     0.6200     3.8790     2.6893     4.0933     1.4558 
   H  47    7.4265     3.7989     2.6893     2.2495     0.6200     3.9421 
   H  48    6.9511     2.6893     3.7989     0.6200     2.2495     2.3594 
   H  49    6.9715     4.9986     1.4558     4.5187     2.3594     5.6622 
   H  50    5.1859     1.4558     4.9986     2.3594     4.5187     0.6200 
   H  51    1.4158     3.0779     5.1022     5.1295     6.0882     3.8229 
   H  52    6.6367     2.3593     4.9675     1.4559     3.8119     1.4559 
   H  53    7.8859     4.9675     2.3593     3.8119     1.4559     5.3471 
   H  54    2.9083     7.0569     7.2154     8.9036     8.9857     7.9755 
   H  55    1.4955     5.8227     6.9861     7.8336     8.4288     6.6051 
   H  56    2.3716     6.6804     7.8222     8.7014     9.2989     7.4387 
   H  57    2.5558     6.9042     7.6188     8.8637     9.2361     7.7404 
   H  58    3.2380     7.0715     6.7888     8.8036     8.6579     8.0410 
   H  59    2.5120     6.1977     6.0125     7.9288     7.8356     7.1723 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    4.8354     0.0000 
   C  27    1.0417     4.4109     0.0000 
   C  28    7.5592     8.4092     8.4093     0.0000 
   C  29    8.3004     8.1287     9.0197     1.7320     0.0000 
   C  30    4.9649     4.8053     5.5436     3.6055     3.6055     0.0000 
   C  31    7.6093     6.6265     8.1750     2.9999     1.7320     2.6457 
   C  32    9.3087     8.2119     9.8993     3.4641     1.7321     4.3589 
   C  33   10.0946     9.2014    10.7343     3.6055     2.0000     5.1962 
   C  34    9.5344     7.9058    10.0350     4.3589     2.6458     4.5826 
   C  35   10.5075     8.6485    10.9834     5.1961     3.4641     5.5677 
   C  36   11.0183     9.8469    11.6258     4.5826     3.0000     6.0828 
   C  37   11.2096     9.5930    11.7416     5.2915     3.6055     6.2450 
   H  38    3.3854     2.9112     3.6536     5.7451     5.8389     2.2406 
   H  39    3.5619     4.4177     4.2006     4.4225     4.8263     1.4156 
   H  40    2.7822     4.1198     3.4040     5.1441     5.6193     2.1829 
   H  41    6.3716     6.9996     7.1588     1.4156     2.0296     2.1943 
   H  42    5.9614     6.2286     6.6757     2.1828     2.3451     1.4332 
   H  43    7.9996     8.3431     8.7891     0.8743     0.8743     3.6200 
   H  44    6.7957     5.8052     7.3293     3.2380     2.3716     1.8397 
   H  45    1.4558     4.8261     2.3594     6.1039     6.8714     3.6594 
   H  46    4.7361     2.3594     4.8261     6.1038     5.7704     2.5359 
   H  47    2.3594     3.2898     1.4558     8.9655     9.3165     5.7194 
   H  48    3.9421     1.4558     3.2898     8.9654     8.9421     5.4123 
   H  49    0.6200     5.4554     1.4559     7.6629     8.5190     5.3100 
   H  50    5.6622     1.4559     5.4554     7.6629     7.1320     4.1643 
   H  51    6.1281     4.8053     6.5657     4.0130     3.3533     1.4158 
   H  52    5.3471     0.6200     4.8461     8.9680     8.6229     5.3711 
   H  53    1.4559     4.8461     0.6200     8.9680     9.6175     6.1580 
   H  54    8.1697     8.8570     9.0101     0.6200     1.5200     4.0750 
   H  55    8.0169     7.5797     8.6871     2.1114     0.6201     3.1878 
   H  56    8.8472     8.4251     9.5394     2.2901     0.6201     4.0601 
   H  57    8.6192     8.6872     9.3815     1.5200     0.6200     4.0750 
   H  58    7.6960     8.8600     8.5885     0.6201     2.2901     4.0601 
   H  59    6.9504     7.9845     7.8114     0.6201     2.1114     3.1878 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.7321     0.0000 
   C  33    2.6458     1.0000     0.0000 
   C  34    2.0000     1.0000     1.7320     0.0000 
   C  35    3.0000     1.7320     2.0000     1.0000     0.0000 
   C  36    3.4641     1.7320     1.0000     2.0000     1.7320     0.0000 
   C  37    3.6056     2.0000     1.7320     1.7320     1.0000     1.0000 
   H  38    4.6883     6.4171     7.3223     6.4423     7.3665     8.1473 
   H  39    4.0507     5.7470     6.5470     5.9981     6.9830     7.4597 
   H  40    4.8281     6.5339     7.3422     6.7558     7.7335     8.2506 
   H  41    2.3451     3.4978     4.0024     4.1713     5.1332     4.9969 
   H  42    2.0295     3.4978     4.1713     4.0024     4.9969     5.1332 
   H  43    2.3715     2.6009     2.7431     3.5191     4.3318     3.7289 
   H  44    0.8743     2.6008     3.5191     2.7430     3.7288     4.3318 
   H  45    6.2774     7.9484     8.7008     8.2397     9.2269     9.6410 
   H  46    4.3042     5.9445     6.9184     5.7527     6.5861     7.6255 
   H  47    8.2324     9.9607    10.8645     9.9505    10.8458    11.6900 
   H  48    7.5842     9.2490    10.2160     9.0512     9.8553    10.9347 
   H  49    7.9386     9.6140    10.3641     9.8926    10.8758    11.3064 
   H  50    5.5190     7.0008     7.9998     6.6024     7.2909     8.5769 
   H  51    1.8397     3.5191     4.4726     3.4849     4.4186     5.2330 
   H  52    7.0772     8.6188     9.6145     8.2566     8.9561    10.2215 
   H  53    8.7920    10.5151    11.3456    10.6548    11.6034    12.2407 
   H  54    3.0633     3.1995     3.1879     4.1517     4.9155     4.1339 
   H  55    1.1120     1.5201     2.0940     2.2884     3.1995     3.0635 
   H  56    1.8397     1.2347     1.3800     2.2146     2.9435     2.3800 
   H  57    2.3520     2.1115     2.0940     3.0874     3.8121     3.0634 
   H  58    3.6200     4.0131     4.0602     4.9340     5.7415     5.0105 
   H  59    3.0633     3.8121     4.0751     4.6402     5.5322     5.0675 

              C  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   C  37    0.0000 
   H  38    8.1671     0.0000 
   H  39    7.6549     1.5091     0.0000 
   H  40    8.4274     1.3136     0.7971     0.0000 
   H  41    5.4895     4.3363     3.0609     3.8149     0.0000 
   H  42    5.4894     3.6373     2.4902     3.2787     0.7970     0.0000 
   H  43    4.4186     5.8469     4.6637     5.4322     1.6310     2.2128 
   H  44    4.4186     3.8164     3.2553     4.0149     2.2128     1.6310 
   H  45    9.8825     2.5620     2.2455     1.5448     4.9231     4.5434 
   H  46    7.4769     1.4574     2.5974     2.7006     4.7100     3.9226 
   H  47   11.6813     3.5441     4.5599     3.8218     7.6205     7.0227 
   H  48   10.7679     3.2219     4.6507     4.1250     7.5541     6.8365 
   H  49   11.5442     3.8999     3.8946     3.1494     6.5460     6.2013 
   H  50    8.2549     2.8784     4.2220     4.1918     6.2967     5.5009 
   H  51    5.2100     2.9576     2.7170     3.3947     2.7806     2.0286 
   H  52    9.9180     3.5272     5.0315     4.7397     7.5634     6.7852 
   H  53   12.3609     4.2694     4.8057     4.0087     7.7383     7.2725 
   H  54    4.9080     6.2601     4.9817     5.7192     1.9301     2.6420 
   H  55    3.5087     5.3914     4.4876     5.2847     1.9808     2.0774 
   H  56    3.0073     6.2681     5.3389     6.1354     2.6368     2.8867 
   H  57    3.8024     6.3156     5.2168     5.9994     2.2546     2.7298 
   H  58    5.7745     6.1261     4.7386     5.4182     1.8778     2.6726 
   H  59    5.7166     5.2528     3.8816     4.5806     1.0254     1.8215 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    2.8059     0.0000 
   H  45    6.5486     5.4983     0.0000 
   H  46    5.9937     3.4635     4.0183     0.0000 
   H  47    9.2191     7.3602     3.3093     4.3451     0.0000 
   H  48    9.0318     6.7244     4.3451     3.3093     1.9731     0.0000 
   H  49    8.1603     7.1496     1.6658     5.2874     2.8788     4.5445 
   H  50    7.4656     4.7621     5.2874     1.6658     4.5445     2.8788 
   H  51    3.7058     1.0000     4.9319     2.4674     6.4784     5.7460 
   H  52    8.8720     6.2769     5.4158     2.8787     3.6205     1.6658 
   H  53    9.3693     7.9477     2.8787     5.4158     1.6658     3.6205 
   H  54    0.6949     3.4558     6.7139     6.5257     9.5365     9.4721 
   H  55    1.3471     1.7875     6.6129     5.2268     8.9048     8.4403 
   H  56    1.4158     2.6200     7.4292     6.0793     9.7788     9.3098 
   H  57    0.6949     2.9702     7.1743     6.3279     9.7501     9.4579 
   H  58    1.4158     3.8390     6.2496     6.5858     9.2320     9.3460 
   H  59    1.3471     3.1297     5.4960     5.7181     8.4013     8.4738 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    6.2667     0.0000 
   H  51    6.5384     3.7831     0.0000 
   H  52    5.9661     1.6657     5.2788     0.0000 
   H  53    1.6657     5.9661     7.1855     5.2371     0.0000 
   H  54    8.2799     8.0418     4.3170     9.4019     9.5731     0.0000 
   H  55    8.2743     6.5476     2.7823     8.0608     9.2933     2.0379 
   H  56    9.0840     7.3540     3.6200     8.8941    10.1425     1.9721 
   H  57    8.8006     7.7219     3.9390     9.1923     9.9696     1.1120 
   H  58    7.7508     8.1734     4.5802     9.4308     9.1277     0.8769 
   H  59    7.0464     7.3168     3.7869     8.5569     8.3651     1.2400 

              H  55      H  56      H  57      H  58      H  59
              -------------------------------------------------------
   H  55    0.0000 
   H  56    0.8769     0.0000 
   H  57    1.2400     0.8769     0.0000 
   H  58    2.7145     2.8060     1.9721     0.0000 
   H  59    2.3520     2.7145     2.0379     0.8769     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   -0.4494406998
   O   7   -0.4184625094
   O   8   -0.2264675592
   O   9   -0.2483068300
   N  10   -0.2678906544
   C  11    0.0445939908
   C  12   -0.0290049350
   C  13   -0.0290049350
   C  14   -0.0137372205
   C  15   -0.0137372205
   C  16    0.1048365871
   C  17   -0.0216437634
   C  18   -0.0445258481
   C  19    0.1238664835
   C  20   -0.0573036677
   C  21   -0.0573036677
   C  22   -0.0537412211
   C  23   -0.0537412211
   C  24   -0.0614457661
   C  25   -0.0614457661
   C  26   -0.0611669520
   C  27   -0.0611669520
   C  28   -0.0625942529
   C  29   -0.0625942529
   C  30    0.4009478066
   C  31    0.3331593716
   C  32    0.2075536280
   C  33    0.2063578037
   C  34    0.2063578037
   C  35    0.2000557317
   C  36    0.2000557317
   C  37    0.1993125494
   H  38    0.0430859789
   H  39    0.0707292460
   H  40    0.0707292460
   H  41    0.0290926037
   H  42    0.0290926037
   H  43    0.0296183502
   H  44    0.0615458075
   H  45    0.0620668707
   H  46    0.0620668707
   H  47    0.0623704729
   H  48    0.0623704729
   H  49    0.0617671145
   H  50    0.0617671145
   H  51    0.1528461238
   H  52    0.0617762859
   H  53    0.0617762859
   H  54    0.0232341013
   H  55    0.0232341013
   H  56    0.0232341013
   H  57    0.0232341013
   H  58    0.0232341013
   H  59    0.0232341013


BOND ANGLES
  16    6   30   C3   O3   C2    120.001
  31    7   32   C2   O3  Car    119.998
  19   10   30   C3  Nam   C2    120.001
  19   10   51   C3  Nam   HC    119.997
  30   10   51   C2  Nam   HC    120.002
  12   11   13  Car   C3  Car    108.001
  12   11   16  Car   C3   C3    126.001
  12   11   38  Car   C3   HC     63.004
  13   11   16  Car   C3   C3    125.998
  13   11   38  Car   C3   HC    171.005
  16   11   38   C3   C3   HC     62.997
  11   12   15   C3  Car  Car    108.001
  11   12   20   C3  Car  Car    131.118
  15   12   20  Car  Car  Car    120.881
  11   13   14   C3  Car  Car    107.992
  11   13   21   C3  Car  Car    131.121
  14   13   21  Car  Car  Car    120.886
  13   14   15  Car  Car  Car    108.006
  13   14   23  Car  Car  Car    120.879
  15   14   23  Car  Car  Car    131.116
  12   15   14  Car  Car  Car    108.000
  12   15   22  Car  Car  Car    120.889
  14   15   22  Car  Car  Car    131.111
   6   16   11   O3   C3   C3    120.001
   6   16   39   O3   C3   HC     80.004
   6   16   40   O3   C3   HC    160.002
  11   16   39   C3   C3   HC    159.996
  11   16   40   C3   C3   HC     79.997
  39   16   40   HC   C3   HC     79.999
  18   17   19   C3   C3   C3    120.001
  18   17   41   C3   C3   HC     80.006
  18   17   42   C3   C3   HC    159.996
  19   17   41   C3   C3   HC    159.993
  19   17   42   C3   C3   HC     80.004
  41   17   42   HC   C3   HC     79.990
  17   18   28   C3   C3   C3    120.001
  17   18   29   C3   C3   C3    120.001
  17   18   43   C3   C3   HC    179.974
  28   18   29   C3   C3   C3    119.999
  28   18   43   C3   C3   HC     59.999
  29   18   43   C3   C3   HC     59.999
  10   19   17  Nam   C3   C3    120.001
  10   19   31  Nam   C3   C2    120.001
  10   19   44  Nam   C3   HC     60.003
  17   19   31   C3   C3   C2    119.999
  17   19   44   C3   C3   HC    179.974
  31   19   44   C2   C3   HC     59.998
  12   20   24  Car  Car  Car    119.563
  12   20   46  Car  Car   HC    120.211
  24   20   46  Car  Car   HC    120.226
  13   21   25  Car  Car  Car    119.563
  13   21   45  Car  Car   HC    120.211
  25   21   45  Car  Car   HC    120.226
  15   22   26  Car  Car  Car    119.553
  15   22   48  Car  Car   HC    120.226
  26   22   48  Car  Car   HC    120.221
  14   23   27  Car  Car  Car    119.558
  14   23   47  Car  Car   HC    120.222
  27   23   47  Car  Car   HC    120.221
  20   24   26  Car  Car  Car    119.556
  20   24   50  Car  Car   HC    120.227
  26   24   50  Car  Car   HC    120.216
  21   25   27  Car  Car  Car    119.556
  21   25   49  Car  Car   HC    120.227
  27   25   49  Car  Car   HC    120.216
  22   26   24  Car  Car  Car    119.558
  22   26   52  Car  Car   HC    120.225
  24   26   52  Car  Car   HC    120.217
  23   27   25  Car  Car  Car    119.558
  23   27   53  Car  Car   HC    120.225
  25   27   53  Car  Car   HC    120.217
  18   28   54   C3   C3   HC     89.999
  18   28   58   C3   C3   HC    179.974
  18   28   59   C3   C3   HC     89.996
  54   28   58   HC   C3   HC     90.005
  54   28   59   HC   C3   HC    179.974
  58   28   59   HC   C3   HC     90.000
  18   29   55   C3   C3   HC     89.996
  18   29   56   C3   C3   HC    179.974
  18   29   57   C3   C3   HC     89.999
  55   29   56   HC   C3   HC     90.000
  55   29   57   HC   C3   HC    179.974
  56   29   57   HC   C3   HC     90.005
   6   30    8   O3   C2   O2    120.001
   6   30   10   O3   C2  Nam    120.001
   8   30   10   O2   C2  Nam    119.999
   7   31    9   O3   C2   O2    119.998
   7   31   19   O3   C2   C3    120.001
   9   31   19   O2   C2   C3    120.001
   7   32   33   O3  Car  Car    119.998
   7   32   34   O3  Car  Car    120.001
  33   32   34  Car  Car  Car    120.001
   1   33   32    F  Car  Car    119.998
   1   33   36    F  Car  Car    120.001
  32   33   36  Car  Car  Car    120.001
   2   34   32    F  Car  Car    120.001
   2   34   35    F  Car  Car    120.001
  32   34   35  Car  Car  Car    119.999
   3   35   34    F  Car  Car    119.999
   3   35   37    F  Car  Car    120.001
  34   35   37  Car  Car  Car    120.001
   4   36   33    F  Car  Car    120.001
   4   36   37    F  Car  Car    120.001
  33   36   37  Car  Car  Car    119.999
   5   37   35    F  Car  Car    120.001
   5   37   36    F  Car  Car    119.999
  35   37   36  Car  Car  Car    120.001


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


CHIRAL ATOMS
  33   36   37   35      0.026