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1-benzyl-2-phenyl-4-(trifluoromethyl)piperidin-4-ol
1-benzyl-2-phenyl-4-(trifluoromethyl)piperidin-4-ol ID: AN-40180
CAS:56108-27-1
Supplier:AN PharmaTech Co Ltd

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SMILES:FC(F)(F)C1(O)CC(N(CC1)Cc1ccccc1)c1ccccc1	53421338
FORMULA: C19H20F3NO
MASS: 335.3634
EXACT MASS: 335.1496989
INTERATOMIC DISTANCES

              F   1      F   2      F   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   F   2    1.4142     0.0000 
   F   3    1.1472     1.9696     0.0000 
   O   4    2.0749     2.1499     1.1691     0.0000 
   N   5    3.8637     2.7320     3.6348     2.7516     0.0000 
   C   6    2.0000     1.4142     1.6382     1.0000     2.0000     0.0000 
   C   7    3.7320     2.9093     3.2144     2.1451     1.0000     1.7320 
   C   8    2.9093     2.3941     2.2513     1.1472     1.7320     1.0000 
   C   9    2.2360     1.0000     2.3586     1.9923     1.7320     1.0000 
   C  10    3.2348     1.9318     3.2905     2.6935     1.0000     1.7320 
   C  11    1.0000     1.0000     1.0000     1.2855     2.9093     1.0000 
   C  12    4.6252     3.8982     3.9645     2.8138     1.7321     2.6458 
   C  13    4.8365     3.6326     4.6342     3.7225     1.0000     3.0000 
   C  14    5.2337     3.8982     5.2302     4.4527     1.7320     3.6055 
   C  15    5.4641     4.5747     4.8971     3.7687     2.0000     3.4641 
   C  16    4.8365     4.3813     3.9797     2.8193     2.6458     3.0000 
   C  17    6.3498     5.5372     5.6891     4.5298     3.0000     4.3589 
   C  18    5.8186     5.3785     4.9216     3.7768     3.4641     4.0000 
   C  19    4.7883     3.3859     4.9971     4.4171     2.0000     3.4641 
   C  20    6.2334     4.8916     6.2144     5.3955     2.6457     4.5826 
   C  21    6.5054     5.8873     5.6997     4.5332     3.6055     4.5826 
   C  22    5.4706     4.0576     5.8181     5.3367     3.0000     4.3589 
   C  23    6.7717     5.3785     6.8919     6.1710     3.4641     5.2915 
   C  24    6.4336     5.0196     6.7167     6.1454     3.6056     5.1962 
   H  25    4.2802     3.3410     3.8211     2.7646     0.8743     2.2901 
   H  26    2.6531     2.4605     1.8098     0.6413     2.3451     1.0813 
   H  27    3.4070     3.0047     2.6068     1.4383     2.0295     1.5968 
   H  28    2.3877     0.9800     2.7638     2.5677     2.0295     1.5968 
   H  29    1.6512     0.4040     1.9726     1.9273     2.3451     1.0813 
   H  30    3.8154     2.4655     3.9101     3.2907     1.0813     2.3451 
   H  31    3.1605     1.7619     3.4307     3.0284     1.5967     2.0296 
   H  32    4.8968     3.8111     4.5485     3.5386     1.0813     2.9561 
   H  33    5.4511     4.2523     5.2151     4.2616     1.5967     3.5889 
   H  34    2.6851     2.7155     1.7022     0.6201     2.7798     1.4158 
   H  35    5.4991     4.4802     5.0528     3.9760     1.7732     3.5191 
   H  36    4.4462     4.1553     3.5126     2.3823     2.8292     2.7431 
   H  37    6.8697     5.9865     6.2541     5.1030     3.3533     4.8708 
   H  38    6.0597     5.7473     5.0913     3.9884     4.0130     4.3433 
   H  39    4.1767     2.7703     4.4285     3.9215     1.7733     2.9436 
   H  40    6.5763     5.2788     6.4593     5.5617     2.8292     4.8212 
   H  41    7.1015     6.5052     6.2697     5.1078     4.2100     5.1927 
   H  42    5.3651     3.9717     5.8306     5.4688     3.3533     4.4726 
   H  43    7.3884     5.9972     7.4904     6.7426     4.0131     5.8809 
   H  44    6.8816     5.4699     7.2280     6.7045     4.2100     5.7415 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.0000     1.7320     0.0000 
   C  10    1.7320     2.0000     1.0000     0.0000 
   C  11    2.7320     1.9318     1.4142     2.3941     0.0000 
   C  12    1.0001     1.7321     3.0000     2.6458     3.6327     0.0000 
   C  13    1.7320     2.6457     2.6457     1.7320     3.8982     2.0000 
   C  14    2.6457     3.4641     3.0000     2.0000     4.3813     3.0000 
   C  15    1.7321     2.6458     3.6056     3.0000     4.4641     1.0000 
   C  16    1.7321     2.0000     3.6055     3.4641     3.8982     1.0000 
   C  17    2.6458     3.4641     4.5826     4.0000     5.3535     1.7320 
   C  18    2.6458     3.0000     4.5826     4.3589     4.8916     1.7320 
   C  19    3.0000     3.6056     2.6458     1.7321     4.0576     3.6056 
   C  20    3.4641     4.3589     4.0000     3.0000     5.3785     3.6056 
   C  21    3.0000     3.6056     5.0000     4.5826     5.5372     2.0000 
   C  22    4.0000     4.5826     3.4641     2.6458     4.8440     4.5826 
   C  23    4.3589     5.1962     4.5826     3.6056     5.9940     4.5827 
   C  24    4.5826     5.2915     4.3589     3.4641     5.7616     5.0001 
   H  25    0.6200     1.6200     2.3715     1.8396     3.2836     0.8744 
   H  26    1.5967     0.6200     2.0295     2.5068     1.7618     2.1829 
   H  27    1.0812     0.6200     2.3451     2.5068     2.4655     1.4155 
   H  28    2.5068     2.3451     0.6200     1.0812     1.7679     3.4977 
   H  29    2.5068     2.0295     0.6200     1.5967     0.9736     3.4978 
   H  30    2.0295     2.5068     1.5967     0.6200     3.0047     2.8114 
   H  31    2.3451     2.5068     1.0813     0.6200     2.4605     3.2657 
   H  32    1.4156     2.4060     2.8114     2.0296     3.9191     1.4332 
   H  33    2.1828     3.1512     3.2657     2.3451     4.5052     2.1943 
   H  34    1.9901     1.0484     2.4023     2.9381     1.8993     2.4608 
   H  35    1.8397     2.8292     3.4849     2.7430     4.5069     1.4158 
   H  36    1.8397     1.7733     3.4849     3.5191     3.5562     1.4158 
   H  37    3.1408     4.0131     5.0104     4.3433     5.8701     2.2901 
   H  38    3.1408     3.3533     5.0104     4.8707     5.1761     2.2900 
   H  39    2.7431     3.2069     2.0699     1.2347     3.4720     3.4850 
   H  40    3.5191     4.4726     4.3433     3.3533     5.6786     3.4849 
   H  41    3.6200     4.2100     5.6199     5.1927     6.1399     2.6199 
   H  42    4.3433     4.8212     3.5192     2.8292     4.8368     5.0105 
   H  43    4.8708     5.7415     5.1927     4.2101     6.6020     5.0105 
   H  44    5.1927     5.8808     4.8708     4.0130     6.2578     5.6200 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    1.7321     2.6458     0.0000 
   C  16    3.0000     4.0000     1.7320     0.0000 
   C  17    2.6458     3.4641     1.0000     2.0000     0.0000 
   C  18    3.6055     4.5826     2.0000     1.0000     1.7320     0.0000 
   C  19    1.7321     1.0001     3.4642     4.5826     4.3590     5.2915 
   C  20    1.7320     1.0000     3.0000     4.5826     3.6055     5.0000 
   C  21    3.4641     4.3589     1.7320     1.7320     1.0000     1.0000 
   C  22    2.6458     1.7321     4.3590     5.5678     5.1962     6.2450 
   C  23    2.6458     1.7321     4.0001     5.5678     4.5826     6.0000 
   C  24    3.0000     2.0000     4.5826     6.0000     5.2915     6.5575 
   H  25    1.2346     2.2145     1.2347     1.8397     2.2146     2.6009 
   H  26    3.2657     4.0761     3.1512     2.1943     3.8917     3.1671 
   H  27    2.8113     3.7220     2.4059     1.4332     3.1021     2.4267 
   H  28    2.8113     2.9561     4.0024     4.1713     4.9969     5.1331 
   H  29    3.2657     3.5889     4.1713     4.0024     5.1332     4.9969 
   H  30    1.4156     1.4332     2.9562     3.7221     3.9400     4.5430 
   H  31    2.1828     2.1943     3.5889     4.0761     4.5875     4.9779 
   H  32    0.6200     1.5967     1.1266     2.4267     2.0783     2.9898 
   H  33    0.6200     1.0813     1.6278     3.1671     2.3874     3.6166 
   H  34    3.6863     4.5117     3.4521     2.2997     4.1245     3.2223 
   H  35    1.2347     2.0698     0.6201     2.2901     1.4158     2.6200 
   H  36    3.3533     4.3433     2.2901     0.6200     2.6200     1.4158 
   H  37    2.8292     3.5191     1.4158     2.6200     0.6200     2.2901 
   H  38    4.2100     5.1927     2.6199     1.4157     2.2900     0.6200 
   H  39    1.8397     1.4158     3.5192     4.4187     4.4727     5.2101 
   H  40    1.8397     1.4158     2.7431     4.4187     3.2070     4.7206 
   H  41    4.0130     4.8707     2.2900     2.2900     1.4157     1.4158 
   H  42    3.1408     2.2901     4.8708     5.9770     5.7415     6.7055 
   H  43    3.1408     2.2901     4.3434     5.9770     4.8213     6.3328 
   H  44    3.6200     2.6200     5.1928     6.6200     5.8809     7.1725 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.7321     0.0000 
   C  21    5.1962     4.5826     0.0000 
   C  22    1.0000     2.0000     6.0828     0.0000 
   C  23    2.0000     1.0001     5.5678     1.7320     0.0000 
   C  24    1.7320     1.7321     6.2450     1.0000     1.0000     0.0000 
   H  25    2.7431     2.9435     2.7431     3.7289     3.8787     4.2029 
   H  26    4.1713     4.9779     3.8981     5.1332     5.8078     5.8749 
   H  27    4.0024     4.5429     3.1102     4.9969     5.4395     5.6350 
   H  28    2.4059     3.9399     5.4894     3.1021     4.3997     4.0506 
   H  29    3.1512     4.5875     5.4894     3.8917     5.1245     4.8281 
   H  30    1.1266     2.4267     4.6339     2.0783     2.9898     2.8556 
   H  31    1.6278     3.1670     5.1957     2.3874     3.6166     3.3038 
   H  32    2.3452     2.1828     2.8555     3.2657     3.1512     3.5889 
   H  33    2.0296     1.4156     3.3038     2.8114     2.4060     2.9562 
   H  34    4.6110     5.4052     4.0305     5.5702     6.2437     6.3158 
   H  35    2.9436     2.3800     2.2901     3.7980     3.3800     3.9755 
   H  36    4.8213     5.0104     2.2901     5.8194     5.9770     6.3328 
   H  37    4.4727     3.4849     1.4158     5.2331     4.4187     5.2101 
   H  38    5.8809     5.6199     1.4158     6.8428     6.6200     7.1725 
   H  39    0.6200     2.2901     5.2331     1.4158     2.6200     2.2901 
   H  40    2.2901     0.6200     4.2029     2.6200     1.4158     2.2901 
   H  41    5.7415     5.0104     0.6200     6.6018     5.9770     6.7055 
   H  42    1.4157     2.6200     6.6018     0.6200     2.2900     1.4158 
   H  43    2.6200     1.4158     5.8194     2.2901     0.6200     1.4158 
   H  44    2.2900     2.2901     6.8428     1.4158     1.4157     0.6200 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    2.2128     0.0000 
   H  27    1.6309     0.7971     0.0000 
   H  28    2.7883     2.6463     2.9532     0.0000 
   H  29    2.9379     2.1562     2.6463     0.7971     0.0000 
   H  30    1.9445     3.0557     2.9499     1.5278     2.1652     0.0000 
   H  31    2.4530     2.9499     3.0557     0.7847     1.5279     0.7970 
   H  32    0.8135     3.0115     2.4433     3.0946     3.4209     1.8728 
   H  33    1.6021     3.7661     3.2325     3.4208     3.8857     1.9785 
   H  34    2.5960     0.4409     1.0462     3.0101     2.4516     3.4937 
   H  35    1.2347     3.3946     2.7169     3.8001     4.0838     2.5834 
   H  36    2.1302     1.7992     1.1541     4.0838     3.8001     3.8679 
   H  37    2.6458     4.4690     3.6870     5.3795     5.5836     4.2030 
   H  38    3.1644     3.4184     2.7466     5.5835     5.3795     5.0943 
   H  39    2.6111     3.7365     3.6656     1.7906     2.5480     0.7184 
   H  40    2.9435     5.0909     4.5738     4.3562     4.9496     2.8284 
   H  41    3.3533     4.4781     3.6980     6.1079     6.1079     5.2253 
   H  42    4.1416     5.3348     5.2854     3.0690     3.8653     2.3361 
   H  43    4.3589     6.3574     5.9514     5.0188     5.7400     3.5973 
   H  44    4.8212     6.4566     6.2391     4.5177     5.3074     3.4161 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    2.5703     0.0000 
   H  33    2.7656     0.7970     0.0000 
   H  34    3.3624     3.4041     4.1711     0.0000 
   H  35    3.2886     0.7184     1.0201     3.7439     0.0000 
   H  36    4.1068     2.8284     3.6051     1.8108     2.8059     0.0000 
   H  37    4.9034     2.3361     2.4458     4.7191     1.6200     3.2400 
   H  38    5.4857     3.5973     4.2353     3.3959     3.2400     1.6199 
   H  39    1.0201     2.3981     2.2861     4.1703     3.0714     4.5826 
   H  40    3.6051     2.1355     1.3414     5.5027     2.1385     4.9003 
   H  41    5.8036     3.4160     3.7987     4.5856     2.8059     2.8059 
   H  42    2.4457     3.7574     3.3700     5.7631     4.3318     6.1810 
   H  43    4.2353     3.5956     2.8162     6.7899     3.7289     6.4201 
   H  44    3.7987     4.2079     3.5651     6.8970     4.5826     6.9508 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    2.8059     0.0000 
   H  39    4.6667     5.7745     0.0000 
   H  40    3.0074     5.3371     2.8059     0.0000 
   H  41    1.6199     1.6200     5.8080     4.5826     0.0000 
   H  42    5.8080     7.2919     1.6199     3.2400     7.1370     0.0000 
   H  43    4.5826     6.9508     3.2400     1.6200     6.1810     2.8059 
   H  44    5.7745     7.7883     2.8059     2.8059     7.2919     1.6200 

              H  43      H  44
              ----------------------
   H  43    0.0000 
   H  44    1.6199     0.0000 



ATOMIC CHARGES
   F   1   -0.1676521071
   F   2   -0.1676521071
   F   3   -0.1676521071
   O   4   -0.3795924869
   N   5   -0.2910752984
   C   6    0.1631732228
   C   7    0.0388339574
   C   8    0.0043445240
   C   9   -0.0025875797
   C  10    0.0026915171
   C  11    0.4182762241
   C  12   -0.0301588606
   C  13    0.0246164832
   C  14   -0.0333429533
   C  15   -0.0570732494
   C  16   -0.0570732494
   C  17   -0.0614516674
   C  18   -0.0614516674
   C  19   -0.0573429256
   C  20   -0.0573429256
   C  21   -0.0617404452
   C  22   -0.0614605269
   C  23   -0.0614605269
   C  24   -0.0617406695
   H  25    0.0513151525
   H  26    0.0314191962
   H  27    0.0314191962
   H  28    0.0308133834
   H  29    0.0308133834
   H  30    0.0427723586
   H  31    0.0427723586
   H  32    0.0475822835
   H  33    0.0475822835
   H  34    0.2105432907
   H  35    0.0620789094
   H  36    0.0620789094
   H  37    0.0617670698
   H  38    0.0617670698
   H  39    0.0620699709
   H  40    0.0620699709
   H  41    0.0617583604
   H  42    0.0617669589
   H  43    0.0617669589
   H  44    0.0617583596


BOND ANGLES
   6    4   34   C3   O3   HO    119.997
   7    5   10   C3   N3   C3    119.999
   7    5   13   C3   N3   C3    120.001
  10    5   13   C3   N3   C3    120.001
   4    6    8   O3   C3   C3     70.003
   4    6    9   O3   C3   C3    169.999
   4    6   11   O3   C3   C3     79.999
   8    6    9   C3   C3   C3    119.999
   8    6   11   C3   C3   C3    150.001
   9    6   11   C3   C3   C3     90.000
   5    7    8   N3   C3   C3    120.001
   5    7   12   N3   C3  Car    120.001
   5    7   25   N3   C3   HC     59.999
   8    7   12   C3   C3  Car    119.998
   8    7   25   C3   C3   HC    179.974
  12    7   25  Car   C3   HC     60.002
   6    8    7   C3   C3   C3    120.001
   6    8   26   C3   C3   HC     80.004
   6    8   27   C3   C3   HC    160.002
   7    8   26   C3   C3   HC    159.996
   7    8   27   C3   C3   HC     79.997
  26    8   27   HC   C3   HC     79.999
   6    9   10   C3   C3   C3    120.001
   6    9   28   C3   C3   HC    160.002
   6    9   29   C3   C3   HC     80.004
  10    9   28   C3   C3   HC     79.997
  10    9   29   C3   C3   HC    159.996
  28    9   29   HC   C3   HC     79.999
   5   10    9   N3   C3   C3    120.001
   5   10   30   N3   C3   HC     80.004
   5   10   31   N3   C3   HC    159.993
   9   10   30   C3   C3   HC    159.996
   9   10   31   C3   C3   HC     80.006
  30   10   31   HC   C3   HC     79.990
   1   11    2    F   C3    F     90.000
   1   11    3    F   C3    F     70.003
   1   11    6    F   C3   C3    179.974
   2   11    3    F   C3    F    160.003
   2   11    6    F   C3   C3     90.000
   3   11    6    F   C3   C3    109.997
   7   12   15   C3  Car  Car    119.998
   7   12   16   C3  Car  Car    120.001
  15   12   16  Car  Car  Car    120.001
   5   13   14   N3   C3  Car    120.001
   5   13   32   N3   C3   HC     80.006
   5   13   33   N3   C3   HC    159.996
  14   13   32  Car   C3   HC    159.993
  14   13   33  Car   C3   HC     80.004
  32   13   33   HC   C3   HC     79.990
  13   14   19   C3  Car  Car    120.001
  13   14   20   C3  Car  Car    120.001
  19   14   20  Car  Car  Car    119.998
  12   15   17  Car  Car  Car    120.001
  12   15   35  Car  Car   HC    119.997
  17   15   35  Car  Car   HC    120.002
  12   16   18  Car  Car  Car    119.999
  12   16   36  Car  Car   HC    120.001
  18   16   36  Car  Car   HC    120.001
  15   17   21  Car  Car  Car    119.999
  15   17   37  Car  Car   HC    120.001
  21   17   37  Car  Car   HC    120.001
  16   18   21  Car  Car  Car    120.001
  16   18   38  Car  Car   HC    119.998
  21   18   38  Car  Car   HC    120.002
  14   19   22  Car  Car  Car    120.001
  14   19   39  Car  Car   HC    119.998
  22   19   39  Car  Car   HC    120.001
  14   20   23  Car  Car  Car    119.998
  14   20   40  Car  Car   HC    120.002
  23   20   40  Car  Car   HC    120.000
  17   21   18  Car  Car  Car    120.001
  17   21   41  Car  Car   HC    119.998
  18   21   41  Car  Car   HC    120.002
  19   22   24  Car  Car  Car    120.001
  19   22   42  Car  Car   HC    119.998
  24   22   42  Car  Car   HC    120.002
  20   23   24  Car  Car  Car    120.001
  20   23   43  Car  Car   HC    119.998
  24   23   43  Car  Car   HC    120.001
  22   24   23  Car  Car  Car    120.001
  22   24   44  Car  Car   HC    120.002
  23   24   44  Car  Car   HC    119.998


TORSION ANGLES
  34    4    6    8      0.026
  34    4    6    9    179.974
  34    4    6   11    179.974
  10    5    7    8      0.026
  10    5    7   12    179.974
  10    5    7   25    179.974
  13    5    7    8    179.974
  13    5    7   12      0.026
  13    5    7   25      0.026
   7    5   10    9      0.026
   7    5   10   30    179.974
   7    5   10   31    179.974
  13    5   10    9    179.974
  13    5   10   30      0.026
  13    5   10   31      0.026
   7    5   13   14    179.974
   7    5   13   32      0.026
   7    5   13   33      0.026
  10    5   13   14      0.026
  10    5   13   32    179.974
  10    5   13   33    179.974
   4    6    8    7    179.974
   4    6    8   26      0.026
   4    6    8   27      0.026
   9    6    8    7      0.026
   9    6    8   26    179.974
   9    6    8   27    179.974
  11    6    8    7    179.974
  11    6    8   26      0.026
  11    6    8   27      0.026
   4    6    9   10    179.974
   4    6    9   28      0.026
   4    6    9   29      0.026
   8    6    9   10      0.026
   8    6    9   28    179.974
   8    6    9   29    179.974
  11    6    9   10    179.974
  11    6    9   28      0.026
  11    6    9   29      0.026
   4    6   11    1    180.000
   4    6   11    2    179.974
   4    6   11    3      0.026
   8    6   11    1    180.000
   8    6   11    2    179.974
   8    6   11    3      0.026
   9    6   11    1    180.000
   9    6   11    2      0.026
   9    6   11    3    179.974
   5    7    8    6      0.026
   5    7    8   26    179.974
   5    7    8   27    179.974
  12    7    8    6    179.974
  12    7    8   26      0.026
  12    7    8   27      0.026
  25    7    8    6    180.000
  25    7    8   26    180.000
  25    7    8   27    180.000
   5    7   12   15      0.026
   5    7   12   16    179.974
   8    7   12   15    179.974
   8    7   12   16      0.026
  25    7   12   15      0.026
  25    7   12   16    179.974
   6    9   10    5      0.026
   6    9   10   30    179.974
   6    9   10   31    179.974
  28    9   10    5    179.974
  28    9   10   30      0.026
  28    9   10   31      0.026
  29    9   10    5    179.974
  29    9   10   30      0.026
  29    9   10   31      0.026
   7   12   15   17    179.974
   7   12   15   35      0.026
  16   12   15   17      0.026
  16   12   15   35    179.974
   7   12   16   18    179.974
   7   12   16   36      0.026
  15   12   16   18      0.026
  15   12   16   36    179.974
   5   13   14   19      0.026
   5   13   14   20    179.974
  32   13   14   19    179.974
  32   13   14   20      0.026
  33   13   14   19    179.974
  33   13   14   20      0.026
  13   14   19   22    179.974
  13   14   19   39      0.026
  20   14   19   22      0.026
  20   14   19   39    179.974
  13   14   20   23    179.974
  13   14   20   40      0.026
  19   14   20   23      0.026
  19   14   20   40    179.974
  12   15   17   21      0.026
  12   15   17   37    179.974
  35   15   17   21    179.974
  35   15   17   37      0.026
  12   16   18   21      0.026
  12   16   18   38    179.974
  36   16   18   21    179.974
  36   16   18   38      0.026
  15   17   21   18      0.026
  15   17   21   41    179.974
  37   17   21   18    179.974
  37   17   21   41      0.026
  16   18   21   17      0.026
  16   18   21   41    179.974
  38   18   21   17    179.974
  38   18   21   41      0.026
  14   19   22   24      0.026
  14   19   22   42    179.974
  39   19   22   24    179.974
  39   19   22   42      0.026
  14   20   23   24      0.026
  14   20   23   43    179.974
  40   20   23   24    179.974
  40   20   23   43      0.026
  19   22   24   23      0.026
  19   22   24   44    179.974
  42   22   24   23    179.974
  42   22   24   44      0.026
  20   23   24   22      0.026
  20   23   24   44    179.974
  43   23   24   22    179.974
  43   23   24   44      0.026


CHIRAL ATOMS
  43   23   24   44      0.026
  43   23   24   44      0.026