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Tau-fluvalinate
Tau-fluvalinate ID: API-28984
CAS:102851-06-9
Supplier:APIchem

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SMILES:Clc1c(N[C@H](C(C)C)C(=O)OC(c2cc(Oc3ccccc3)ccc2)C#N)ccc(c1)C(F)(F)F	ChemMol.com
FORMULA: C26H22ClF3N2O3
MASS: 502.9127
EXACT MASS: 502.1271049
INTERATOMIC DISTANCES

             Cl   1      F   2      F   3      F   4      O   5      O   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   F   2    4.3589     0.0000 
   F   3    4.0576     1.4142     0.0000 
   F   4    3.0880     1.4142     2.0000     0.0000 
   O   5    4.5826     7.2111     6.0445     6.5928     0.0000 
   O   6    3.4641     7.0000     6.0828     6.0828     1.7321     0.0000 
   O   7    8.0000     9.5394     8.1614     9.3484     3.6055     5.2915 
   N   8    2.0000     5.0000     4.1231     4.1231     2.6458     2.0000 
   N   9    5.2915     9.0000     8.0623     8.0623     2.6458     2.0000 
   C  10    3.6055     5.2915     4.0664     4.8440     2.0000     2.6458 
   C  11    3.0000     5.5678     4.5020     4.8716     1.7320     1.7321 
   C  12    4.5826     6.0828     4.7753     5.7616     1.7320     3.0000 
   C  13    3.4641     4.3589     3.0880     4.0576     3.0000     3.4641 
   C  14    3.6056     6.5574     5.5016     5.8080     1.0000     1.0001 
   C  15    1.7320     4.0000     3.1623     3.1623     3.4641     3.0000 
   C  16    5.2915     8.1854     7.0382     7.5143     1.0000     2.0000 
   C  17    1.0000     3.6055     3.1196     2.5036     4.3589     3.6055 
   C  18    2.6458     3.6056     2.5036     3.1197     3.6055     3.6056 
   C  19    6.2450     8.8882     7.6684     8.3184     1.7320     3.0000 
   C  20    2.6457     2.0000     1.4142     1.4142     5.2915     5.0000 
   C  21    1.7320     2.6457     2.3942     1.5060     5.1962     4.5826 
   C  22    3.0000     2.6458     1.5060     2.3942     4.5826     4.5826 
   C  23    6.5575     8.7178     7.4211     8.3024     2.0000     3.6056 
   C  24    7.0000     9.8489     8.6489     9.2302     2.6457     3.6056 
   C  25    3.4641     1.0000     1.0000     1.0000     6.2450     6.0000 
   C  26    7.5499     9.5394     8.2061     9.2011     3.0000     4.5826 
   C  27    5.1962     8.5440     7.5012     7.7287     1.7320     1.7321 
   C  28    7.9373    10.5830     9.3313    10.0463     3.4641     4.5827 
   C  29    8.1854    10.4403     9.1291    10.0330     3.6056     5.0001 
   C  30    9.0000    10.4403     9.0485    10.3017     4.5826     6.2450 
   C  31    9.5394    11.2694     9.8932    11.0510     5.0000     6.5575 
   C  32    9.5394    10.5831     9.1730    10.5763     5.2915     7.0001 
   C  33   10.5357    12.1656    10.7770    11.9941     6.0000     7.5499 
   C  34   10.5357    11.5326    10.1199    11.5581     6.2450     7.9373 
   C  35   11.0000    12.2883    10.8818    12.2307     6.5575     8.1854 
   H  36    3.8242     5.8809     4.6776     5.3674     1.3800     2.2146 
   H  37    2.7431     4.9563     3.8823     4.3054     2.2901     2.2901 
   H  38    4.7390     5.7523     4.3985     5.5659     2.3520     3.5505 
   H  39    5.1928     6.6019     5.2626     6.3431     1.8397     3.3533 
   H  40    4.5067     6.4560     5.1990     6.0151     1.1121     2.4825 
   H  41    2.8441     4.1517     3.0021     3.6689     3.0634     3.1995 
   H  42    3.5191     3.7980     2.4901     3.6234     3.6200     4.0131 
   H  43    4.0841     4.6403     3.2906     4.4985     3.0634     3.8121 
   H  44    1.7732     5.3371     4.5758     4.3348     2.8292     1.7732 
   H  45    5.5156     7.9670     6.7369     7.4336     0.9341     2.5343 
   H  46    3.1408     4.0601     2.8388     3.6974     3.2069     3.4849 
   H  47    1.8397     2.6008     2.6814     1.2564     5.7415     5.0104 
   H  48    3.6200     2.6009     1.2564     2.6815     4.8212     5.0104 
   H  49    6.1988     8.1526     6.8393     7.7868     1.7733     3.4850 
   H  50    6.9386    10.0242     8.8737     9.3267     2.8292     3.4849 
   H  51    8.4158    11.1707     9.9306    10.6054     4.0131     5.0105 
   H  52    8.7923    10.9510     9.6214    10.5848     4.2100     5.6200 
   H  53    9.2965    11.2590     9.9043    10.9634     4.7206     6.1988 
   H  54    9.2965    10.1225     8.7091    10.1766     5.2101     6.9387 
   H  55   10.9007    12.6801    11.3000    12.4660     6.3328     7.8170 
   H  56   10.9006    11.6827    10.2685    11.7800     6.7055     8.4158 
   H  57   11.6200    12.8703    11.4614    12.8331     7.1725     8.7923 

              O   7      N   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    6.0000     0.0000 
   N   9    5.2915     4.0000     0.0000 
   C  10    4.5826     1.7321     4.3589     0.0000 
   C  11    5.0000     1.0001     3.6056     1.0000     0.0000 
   C  12    3.6056     2.6458     4.3589     1.0000     1.7320     0.0000 
   C  13    5.2915     2.0000     5.2915     1.0000     1.7320     1.7320 
   C  14    4.5826     1.7321     2.6458     1.7320     1.0000     2.0000 
   C  15    6.5575     1.0000     5.0000     2.0000     1.7321     3.0000 
   C  16    3.4641     3.4641     2.0000     3.0000     2.6457     2.6457 
   C  17    7.5499     1.7320     5.5678     3.0000     2.6458     4.0000 
   C  18    6.2450     1.7321     5.5678     1.7320     2.0000     2.6457 
   C  19    2.6458     4.3589     2.6458     3.6055     3.4641     3.0000 
   C  20    7.9373     3.0000     7.0000     3.4641     3.6056     4.3589 
   C  21    8.1854     2.6457     6.5574     3.6056     3.4641     4.5826 
   C  22    7.0000     2.6458     6.5574     2.6457     3.0000     3.4641 
   C  23    1.7320     4.5827     3.6056     3.4641     3.6056     2.6458 
   C  24    3.0000     5.1962     2.6458     4.5826     4.3589     4.0000 
   C  25    8.7178     4.0000     8.0000     4.3589     4.5826     5.1962 
   C  26    1.0000     5.5678     4.3590     4.3589     4.5826     3.4641 
   C  27    4.3589     3.6056     1.0001     3.6055     3.0000     3.4641 
   C  28    2.6457     6.0828     3.6056     5.2915     5.1962     4.5826 
   C  29    1.7320     6.2450     4.3590     5.1962     5.2915     4.3589 
   C  30    1.0000     7.0000     6.0828     5.5677     6.0000     4.5826 
   C  31    1.7320     7.5499     6.0828     6.2450     6.5574     5.2915 
   C  32    1.7321     7.5499     7.0001     6.0000     6.5575     5.0001 
   C  33    2.6458     8.5441     7.0001     7.2111     7.5499     6.2450 
   C  34    2.6458     8.5441     7.8103     7.0000     7.5498     6.0000 
   C  35    3.0000     9.0001     7.8103     7.5499     8.0000     6.5575 
   H  36    4.2029     1.8397     3.7980     0.6200     0.8743     0.8743 
   H  37    5.3371     0.8744     4.2101     0.8743     0.6200     1.8396 
   H  38    3.8024     2.9083     4.9753     1.1766     2.1114     0.6200 
   H  39    3.0074     3.2380     4.4727     1.6200     2.2901     0.6201 
   H  40    3.5087     2.5121     3.7437     1.1766     1.5200     0.6200 
   H  41    5.7166     1.4956     5.1222     1.1766     1.5200     2.1114 
   H  42    5.7745     2.3716     5.8809     1.6200     2.2901     2.2901 
   H  43    4.9080     2.5559     5.5256     1.1766     2.1114     1.5200 
   H  44    6.3328     0.6200     3.7289     2.2901     1.4158     3.1408 
   H  45    2.7609     3.5669     2.8500     2.6781     2.6215     2.0791 
   H  46    5.6519     1.8397     5.3763     1.2347     1.7732     2.0699 
   H  47    8.7923     3.1407     6.9530     4.2100     4.0130     5.1927 
   H  48    6.9386     3.1408     6.9530     2.8292     3.3533     3.5191 
   H  49    1.8396     4.2030     3.8243     2.9436     3.2069     2.0699 
   H  50    3.6200     5.2330     2.2146     4.8212     4.4726     4.3433 
   H  51    3.1407     6.6019     3.8243     5.8809     5.7415     5.1927 
   H  52    1.8397     6.8429     4.9340     5.7415     5.8808     4.8708 
   H  53    1.8397     7.3256     5.5844     6.1257     6.3470     5.2100 
   H  54    1.8397     7.3257     7.1152     5.7153     6.3470     4.7207 
   H  55    3.1408     8.9211     7.1152     7.6541     7.9350     6.7056 
   H  56    3.1408     8.9210     8.3705     7.3297     7.9350     6.3328 
   H  57    3.6200     9.6200     8.3705     8.1660     8.6200     7.1725 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.6457     0.0000 
   C  15    1.7321     2.6458     0.0000 
   C  16    4.0000     1.7320     4.3589     0.0000 
   C  17    2.6458     3.4641     1.0000     5.1962     0.0000 
   C  18    1.0000     3.0000     1.0001     4.5826     1.7321     0.0000 
   C  19    4.5826     2.6457     5.1962     1.0000     6.0828     5.2915 
   C  20    2.6458     4.5826     2.0000     6.2450     1.7320     1.7321 
   C  21    3.0000     4.3589     1.7320     6.0828     1.0000     2.0000 
   C  22    1.7320     4.0000     1.7321     5.5678     2.0000     1.0000 
   C  23    4.3589     3.0000     5.2916     1.7321     6.2450     5.1962 
   C  24    5.5678     3.4641     6.0828     1.7320     6.9282     6.2450 
   C  25    3.4641     5.5678     3.0000     7.2111     2.6457     2.6458 
   C  26    5.1962     4.0000     6.2450     2.6458     7.2111     6.0828 
   C  27    4.5826     2.0000     4.5826     1.0000     5.2915     5.0000 
   C  28    6.2450     4.3589     6.9283     2.6458     7.8103     7.0000 
   C  29    6.0828     4.5826     7.0000     3.0000     7.9373     6.9282 
   C  30    6.2450     5.5677     7.5499     4.3589     8.5440     7.2111 
   C  31    7.0000     6.0000     8.1854     4.5826     9.1651     7.9372 
   C  32    6.5575     6.2450     8.0001     5.1962     9.0001     7.5499 
   C  33    7.9373     7.0000     9.1652     5.5678    10.1489     8.8882 
   C  34    7.5499     7.2111     9.0001     6.0828    10.0000     8.5440 
   C  35    8.1854     7.5498     9.5395     6.2450    10.5357     9.1651 
   H  36    1.6200     1.2346     2.3716     2.3800     3.3533     2.2901 
   H  37    1.2346     1.6200     1.2347     3.2380     2.2146     1.3800 
   H  38    1.5200     2.5557     3.0634     3.2566     4.0478     2.5121 
   H  39    2.2901     2.3716     3.6201     2.6009     4.6201     3.2380 
   H  40    2.1114     1.4955     3.0634     2.0403     4.0477     2.9083 
   H  41    0.6200     2.5121     1.1121     4.0478     2.0403     0.5572 
   H  42    0.6200     3.2380     1.8397     4.6200     2.6009     0.8743 
   H  43    0.6200     2.9083     2.3521     4.0478     3.2567     1.5679 
   H  44    2.6200     1.8397     1.4158     3.5192     1.8397     2.2901 
   H  45    3.6500     1.9293     4.3443     0.8500     5.2652     4.3786 
   H  46    0.3800     2.7431     1.4158     4.2029     2.2901     0.6200 
   H  47    3.6200     4.8708     2.2900     6.6018     1.4158     2.6200 
   H  48    1.8397     4.3433     2.2901     5.8193     2.6200     1.4158 
   H  49    3.7980     2.7431     4.8399     1.8397     5.8142     4.6695 
   H  50    5.8193     3.5191     6.1648     1.8397     6.9559     6.4222 
   H  51    6.8428     4.8708     7.4716     3.1408     8.3334     7.5792 
   H  52    6.6018     5.1927     7.5792     3.6200     8.5255     7.4716 
   H  53    6.9386     5.7153     8.0178     4.2029     8.9814     7.8437 
   H  54    6.1988     6.1257     7.7088     5.2331     8.7066     7.1975 
   H  55    8.4158     7.3297     9.5826     5.8194    10.5568     9.3512 
   H  56    7.8169     7.6540     9.3255     6.6018    10.3240     8.8161 
   H  57    8.7923     8.1660    10.1570     6.8428    11.1537     9.7747 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    7.0000     0.0000 
   C  21    6.9282     1.0000     0.0000 
   C  22    6.2450     1.0001     1.7321     0.0000 
   C  23    1.0001     6.9283     7.0000     6.0828     0.0000 
   C  24    1.0000     7.9373     7.8102     7.2111     1.7321     0.0000 
   C  25    7.9373     1.0000     1.7320     1.7321     7.8103     8.8882 
   C  26    1.7321     7.8103     7.9373     6.9282     1.0000     2.0000 
   C  27    1.7320     6.5574     6.2450     6.0000     2.6458     2.0000 
   C  28    1.7321     8.7178     8.6603     7.9373     2.0000     1.0001 
   C  29    2.0000     8.6603     8.7178     7.8102     1.7320     1.7321 
   C  30    3.4641     8.8882     9.1651     7.9372     2.6457     3.6055 
   C  31    3.6055     9.6437     9.8489     8.7178     2.9999     3.4641 
   C  32    4.3590     9.1652     9.5395     8.1854     3.4641     4.5826 
   C  33    4.5826    10.5831    10.8167     9.6437     4.0000     4.3590 
   C  34    5.1962    10.1489    10.5357     9.1651     4.3589     5.2915 
   C  35    5.2915    10.8167    11.1356     9.8489     4.5826     5.1962 
   H  36    3.0074     4.0131     4.0601     3.2380     2.9436     3.9755 
   H  37    4.0130     3.0074     2.9436     2.3800     4.0601     4.9340 
   H  38    3.5505     4.1517     4.5067     3.1995     3.0874     4.5475 
   H  39    2.7431     4.9341     5.1928     4.0130     2.2146     3.7289 
   H  40    2.4825     4.6403     4.7390     3.8121     2.2884     3.4769 
   H  41    4.7390     2.2884     2.4825     1.5200     4.6403     5.6972 
   H  42    5.1927     2.2146     2.7431     1.2346     4.9340     6.1810 
   H  43    4.5067     3.0875     3.5505     2.1114     4.1517     5.5055 
   H  44    4.4726     3.3533     2.8292     3.1408     4.8213     5.2330 
   H  45    0.9341     6.0969     6.0723     5.3219     1.0829     1.9294 
   H  46    4.8399     2.2901     2.6200     1.4158     4.6695     5.8142 
   H  47    7.4716     1.4157     0.6200     2.2901     7.5792     8.3333 
   H  48    6.4222     1.4158     2.2901     0.6200     6.1648     7.4070 
   H  49    1.4158     6.3988     6.5242     5.5285     0.6200     2.2901 
   H  50    1.4158     8.0774     7.8743     7.4070     2.2901     0.6200 
   H  51    2.2901     9.2901     9.2024     8.5255     2.6200     1.4158 
   H  52    2.6200     9.2024     9.2900     8.3333     2.2900     2.2901 
   H  53    3.2070     9.5669     9.7100     8.6686     2.7430     2.9436 
   H  54    4.4727     8.7719     9.1960     7.7823     3.5191     4.8213 
   H  55    4.8213    11.0592    11.2555    10.1333     4.3433     4.4727 
   H  56    5.7415    10.3791    10.8150     9.3864     4.8707     5.8809 
   H  57    5.8809    11.4195    11.7484    10.4481     5.1927     5.7415 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    8.6603     0.0000 
   C  27    7.5498     3.4641     0.0000 
   C  28    9.6437     1.7320     3.0000     0.0000 
   C  29    9.5394     1.0000     3.6055     1.0000     0.0000 
   C  30    9.6437     1.7320     5.1961     2.9999     2.0000     0.0000 
   C  31   10.4403     2.0000     5.2915     2.6457     1.7320     1.0000 
   C  32    9.8489     2.6458     6.0828     4.0000     3.0000     1.0001 
   C  33   11.3579     3.0000     6.2450     3.4641     2.6458     1.7321 
   C  34   10.8167     3.4641     6.9282     4.5826     3.6055     1.7321 
   C  35   11.5326     3.6055     7.0000     4.3589     3.4641     2.0000 
   H  36    4.9340     3.8787     3.0074     4.7100     4.6695     5.2004 
   H  37    3.9755     5.0104     3.6200     5.7415     5.7745     6.3328 
   H  38    4.9156     3.8121     4.0840     5.0675     4.7546     4.7390 
   H  39    5.7415     2.9435     3.5192     4.2029     3.8787     3.9754 
   H  40    5.5322     3.1995     2.8441     4.1339     4.0204     4.5067 
   H  41    3.1995     5.5323     4.5067     6.4446     6.3723     6.6898 
   H  42    2.9436     5.7415     5.1927     6.8428     6.6486     6.7055 
   H  43    3.8121     4.9156     4.7390     6.1022     5.8449     5.8322 
   H  44    4.3433     5.8193     3.4849     6.1648     6.4222     7.3297 
   H  45    7.0230     2.0791     1.8500     2.6216     2.6782     3.7111 
   H  46    3.1408     5.5285     4.7206     6.5242     6.3988     6.6109 
   H  47    1.8396     8.5255     6.7056     9.2024     9.2900     9.7747 
   H  48    1.8397     6.9559     6.3328     8.0774     7.8743     7.8437 
   H  49    7.2598     1.4158     2.8292     2.6200     2.2901     2.8291 
   H  50    9.0479     2.6200     1.7732     1.4158     2.2901     4.2100 
   H  51   10.2247     2.2901     3.3533     0.6200     1.4158     3.3532 
   H  52   10.0650     1.4158     4.2100     1.4157     0.6200     1.7732 
   H  53   10.3993     1.7732     4.8399     2.0698     1.2347     1.4158 
   H  54    9.4184     2.8292     6.1648     4.3433     3.3533     1.4158 
   H  55   11.8552     3.3533     6.4222     3.5191     2.8292     2.2901 
   H  56   11.0048     4.0130     7.4715     5.1927     4.2100     2.2901 
   H  57   12.1254     4.2100     7.5792     4.8707     4.0130     2.6200 

              C  31      C  32      C  33      C  34      C  35      H  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.7321     0.0000 
   C  33    1.0001     2.0000     0.0000 
   C  34    2.0000     1.0000     1.7320     0.0000 
   C  35    1.7321     1.7320     1.0000     1.0000     0.0000 
   H  36    5.8141     5.7153     6.7959     6.7115     7.1975     0.0000 
   H  37    6.9530     6.8180     7.9350     7.8169     8.3273     1.1391 
   H  38    5.5256     5.0383     6.4446     6.0320     6.6677     1.3470 
   H  39    4.7100     4.3800     5.6519     5.3800     5.9434     1.4158 
   H  40    5.1222     5.0384     6.1023     6.0320     6.5047     0.6949 
   H  41    7.3996     7.0589     8.3563     8.0562     8.6546     1.7346 
   H  42    7.4969     6.9530     8.4158     7.9350     8.6142     2.2400 
   H  43    6.6344     6.0780     7.5460     7.0617     7.7374     1.7346 
   H  44    7.8169     7.9351     8.8162     8.9210     9.3255     2.2901 
   H  45    4.0771     4.4803     5.0767     5.4058     5.6633     2.0890 
   H  46    7.3542     6.9343     8.2973     7.9275     8.5571     1.8397 
   H  47   10.4481    10.1570    11.4195    11.1537    11.7484     4.6468 
   H  48    8.6686     8.0178     9.5669     8.9814     9.7100     3.4458 
   H  49    3.3532     3.5191     4.3433     4.4726     4.8212     2.4694 
   H  50    4.0130     5.1928     4.8708     5.8809     5.7415     4.2029 
   H  51    2.8291     4.3433     3.5191     4.8212     4.4726     5.2915 
   H  52    1.2347     2.7431     2.0699     3.2070     2.9436     5.2330 
   H  53    0.6200     2.2901     1.4158     2.6200     2.2901     5.6519 
   H  54    2.2901     0.6200     2.6200     1.4158     2.2901     5.4862 
   H  55    1.4158     2.6200     0.6200     2.2901     1.4158     7.2111 
   H  56    2.6200     1.4157     2.2900     0.6200     1.4158     7.0819 
   H  57    2.2901     2.2900     1.4157     1.4158     0.6200     7.8169 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    2.0437     0.0000 
   H  39    2.4522     0.8768     0.0000 
   H  40    1.8332     1.2399     0.8769     0.0000 
   H  41    0.9137     2.0379     2.7145     2.3520     0.0000 
   H  42    1.7320     1.9721     2.8059     2.7145     0.8768     0.0000 
   H  43    1.7270     1.1121     1.9721     2.0379     1.2400     0.8768 
   H  44    1.4674     3.4624     3.7059     2.9170     2.1060     2.9788 
   H  45    3.1352     2.6487     1.8868     1.5486     3.8236     4.2591 
   H  46    1.1971     1.8960     2.6458     2.3963     0.3475     0.5415 
   H  47    3.5192     5.1259     5.8050     5.3312     3.0986     3.3533 
   H  48    2.7431     3.1552     4.0131     3.9474     1.8332     1.2347 
   H  49    3.6056     2.4801     1.6041     1.7853     4.1179     4.3589 
   H  50    5.0728     4.9203     4.1416     3.7799     5.8870     6.4384 
   H  51    6.3006     5.6842     4.8212     4.7316     7.0254     7.4443 
   H  52    6.3492     5.2278     4.3589     4.5703     6.9178     7.1535 
   H  53    6.7833     5.5084     4.6597     4.9715     7.2961     7.4655 
   H  54    6.5575     4.6908     4.1053     4.8307     6.7270     6.5575 
   H  55    8.3485     6.9399     6.1257     6.5220     8.8121     8.9117 
   H  56    8.1660     6.3105     5.7152     6.4152     8.3469     8.1660 
   H  57    8.9461     7.2734     6.5574     7.1243     9.2667     9.2137 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    3.1721     0.0000 
   H  45    3.5769     3.7631     0.0000 
   H  46    0.9679     2.4522     3.9128     0.0000 
   H  47    4.1685     3.2380     6.6320     3.2400     0.0000 
   H  48    2.0437     3.6739     5.4893     1.6200     2.8059     0.0000 
   H  49    3.5583     4.5049     1.0149     4.1223     7.1151     5.5843 
   H  50    5.8173     5.1962     2.2718     6.0360     8.3704     7.6484 
   H  51    6.7128     6.6487     3.2038     7.1151     9.7341     8.6783 
   H  52    6.3310     7.0323     3.2787     6.9282     9.8680     8.3704 
   H  53    6.6201     7.5499     3.7870     7.2797    10.2988     8.6636 
   H  54    5.6891     7.7469     4.4644     6.5783     9.8155     7.5806 
   H  55    8.0477     9.1611     5.4004     8.7696    11.8522    10.0794 
   H  56    7.3011     9.3240     5.8952     8.1966    11.4347     9.1651 
   H  57    8.3370     9.9445     6.2746     9.1651    12.3619    10.2988 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    2.8059     0.0000 
   H  51    3.2400     1.6200     0.0000 
   H  52    2.8059     2.8059     1.6199     0.0000 
   H  53    3.1864     3.4641     2.2146     0.6582     0.0000 
   H  54    3.4641     5.4400     4.7432     3.1864     2.8059     0.0000 
   H  55    4.7432     4.9340     3.4641     2.2146     1.6200     3.2400 
   H  56    4.9339     6.4759     5.4399     3.8242     3.2400     1.6199 
   H  57    5.4399     6.2700     4.9339     3.4641     2.8059     2.8059 

              H  55      H  56      H  57
              ---------------------------------
   H  55    0.0000 
   H  56    2.8059     0.0000 
   H  57    1.6199     1.6200     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0816210615
   F   2   -0.1659020494
   F   3   -0.1659020494
   F   4   -0.1659020494
   O   5   -0.4401230216
   O   6   -0.2486810566
   O   7   -0.4560159336
   N   8   -0.3301054039
   N   9   -0.1923023332
   C  10   -0.0179206847
   C  11    0.1208702633
   C  12   -0.0604620731
   C  13   -0.0604620731
   C  14    0.3293713672
   C  15    0.0463230825
   C  16    0.2129210717
   C  17    0.0622952600
   C  18   -0.0388819818
   C  19    0.0103048212
   C  20    0.0563008725
   C  21   -0.0299621815
   C  22   -0.0482894371
   C  23   -0.0116381518
   C  24   -0.0538276778
   C  25    0.4174658155
   C  26    0.1288449564
   C  27    0.1122928528
   C  28   -0.0578817195
   C  29   -0.0193100611
   C  30    0.1284388025
   C  31   -0.0193309434
   C  32   -0.0193309434
   C  33   -0.0582854807
   C  34   -0.0582854807
   C  35   -0.0615343482
   H  36    0.0318644997
   H  37    0.0616275846
   H  38    0.0233029831
   H  39    0.0233029831
   H  40    0.0233029831
   H  41    0.0233029831
   H  42    0.0233029831
   H  43    0.0233029831
   H  44    0.1469166534
   H  45    0.0948087256
   H  46    0.0636512448
   H  47    0.0638144245
   H  48    0.0623622444
   H  49    0.0658431258
   H  50    0.0621798168
   H  51    0.0618811658
   H  52    0.0654197031
   H  53    0.0654194740
   H  54    0.0654194740
   H  55    0.0618710334
   H  56    0.0618710334
   H  57    0.0617609292


BOND ANGLES
  14    5   16   C2   O3   C3    120.001
  26    7   30  Car   O3  Car    119.999
  11    8   15   C3  Npl  Car    119.998
  11    8   44   C3  Npl   HC    120.000
  15    8   44  Car  Npl   HC    120.002
  11   10   12   C3   C3   C3    119.999
  11   10   13   C3   C3   C3    120.001
  11   10   36   C3   C3   HC     59.999
  12   10   13   C3   C3   C3    120.001
  12   10   36   C3   C3   HC     59.999
  13   10   36   C3   C3   HC    179.974
   8   11   10  Npl   C3   C3    120.001
   8   11   14  Npl   C3   C2    119.998
   8   11   37  Npl   C3   HC     60.002
  10   11   14   C3   C3   C2    120.001
  10   11   37   C3   C3   HC     59.999
  14   11   37   C2   C3   HC    179.974
  10   12   38   C3   C3   HC     90.001
  10   12   39   C3   C3   HC    179.974
  10   12   40   C3   C3   HC     89.999
  38   12   39   HC   C3   HC     89.995
  38   12   40   HC   C3   HC    179.974
  39   12   40   HC   C3   HC     90.005
  10   13   41   C3   C3   HC     90.000
  10   13   42   C3   C3   HC    179.974
  10   13   43   C3   C3   HC     90.000
  41   13   42   HC   C3   HC     90.000
  41   13   43   HC   C3   HC    179.974
  42   13   43   HC   C3   HC     90.000
   5   14    6   O3   C2   O2    120.001
   5   14   11   O3   C2   C3    120.001
   6   14   11   O2   C2   C3    119.998
   8   15   17  Npl  Car  Car    120.001
   8   15   18  Npl  Car  Car    119.998
  17   15   18  Car  Car  Car    120.001
   5   16   19   O3   C3  Car    120.001
   5   16   27   O3   C3   C1    120.001
   5   16   45   O3   C3   HC     59.999
  19   16   27  Car   C3   C1    119.999
  19   16   45  Car   C3   HC     60.001
  27   16   45   C1   C3   HC    179.974
   1   17   15   Cl  Car  Car    119.999
   1   17   21   Cl  Car  Car    120.001
  15   17   21  Car  Car  Car    120.001
  15   18   22  Car  Car  Car    119.998
  15   18   46  Car  Car   HC    120.000
  22   18   46  Car  Car   HC    120.002
  16   19   23   C3  Car  Car    120.001
  16   19   24   C3  Car  Car    120.001
  23   19   24  Car  Car  Car    119.998
  21   20   22  Car  Car  Car    120.001
  21   20   25  Car  Car   C3    120.001
  22   20   25  Car  Car   C3    119.998
  17   21   20  Car  Car  Car    120.001
  17   21   47  Car  Car   HC    120.002
  20   21   47  Car  Car   HC    119.998
  18   22   20  Car  Car  Car    119.998
  18   22   48  Car  Car   HC    120.002
  20   22   48  Car  Car   HC    120.000
  19   23   26  Car  Car  Car    120.001
  19   23   49  Car  Car   HC    119.998
  26   23   49  Car  Car   HC    120.001
  19   24   28  Car  Car  Car    119.998
  19   24   50  Car  Car   HC    120.002
  28   24   50  Car  Car   HC    120.000
   2   25    3    F   C3    F     90.000
   2   25    4    F   C3    F     90.000
   2   25   20    F   C3  Car    179.974
   3   25    4    F   C3    F    179.974
   3   25   20    F   C3  Car     90.000
   4   25   20    F   C3  Car     90.000
   7   26   23   O3  Car  Car    119.999
   7   26   29   O3  Car  Car    120.001
  23   26   29  Car  Car  Car    120.001
   9   27   16   N1   C1   C3    179.974
  24   28   29  Car  Car  Car    120.001
  24   28   51  Car  Car   HC    119.998
  29   28   51  Car  Car   HC    120.001
  26   29   28  Car  Car  Car    120.001
  26   29   52  Car  Car   HC    120.002
  28   29   52  Car  Car   HC    119.998
   7   30   31   O3  Car  Car    120.001
   7   30   32   O3  Car  Car    120.001
  31   30   32  Car  Car  Car    119.998
  30   31   33  Car  Car  Car    119.998
  30   31   53  Car  Car   HC    120.002
  33   31   53  Car  Car   HC    120.000
  30   32   34  Car  Car  Car    120.001
  30   32   54  Car  Car   HC    119.998
  34   32   54  Car  Car   HC    120.001
  31   33   35  Car  Car  Car    120.001
  31   33   55  Car  Car   HC    119.998
  35   33   55  Car  Car   HC    120.001
  32   34   35  Car  Car  Car    120.001
  32   34   56  Car  Car   HC    119.998
  35   34   56  Car  Car   HC    120.002
  33   35   34  Car  Car  Car    120.001
  33   35   57  Car  Car   HC    119.998
  34   35   57  Car  Car   HC    120.002


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


CHIRAL ATOMS
  56   34   35   57      0.026
  56   34   35   57      0.026