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Sibutramine
Sibutramine ID: API-28671
CAS:106650-56-0
Supplier:APIchem

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SMILES:Clc1ccc(C2(CCC2)C(N(C)C)CC(C)C)cc1	ChemMol.com
FORMULA: C17H26ClN
MASS: 279.8480
EXACT MASS: 279.1753775
INTERATOMIC DISTANCES

             Cl   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    5.0920     0.0000 
   C   3    4.0000     1.7320     0.0000 
   C   4    4.1231     2.6457     1.0000     0.0000 
   C   5    5.0000     1.5060     1.0000     1.4142     0.0000 
   C   6    4.1231     1.0000     1.0000     2.0000     1.4142     0.0000 
   C   7    5.0990     2.5036     1.4142     1.0000     1.0000     2.2361 
   C   8    3.0000     2.3942     1.0000     1.4142     2.0000     1.4142 
   C   9    3.4744     1.7321     1.7321     2.6458     2.3942     1.0001 
   C  10    4.0089     2.0000     2.6458     3.6056     3.1197     1.7321 
   C  11    2.6457     3.3460     1.7320     1.5060     2.6457     2.3942 
   C  12    2.6457     2.4495     1.7320     2.3942     2.6457     1.5060 
   C  13    5.4706     1.0000     2.6457     3.6055     2.5036     1.7320 
   C  14    5.8186     1.0000     2.0000     2.6457     1.2393     1.7320 
   C  15    3.7608     3.0000     3.4641     4.3589     4.0576     2.6458 
   C  16    5.0000     1.7320     3.0000     4.0000     3.1623     2.0000 
   C  17    1.7320     4.1144     2.6457     2.5036     3.6055     3.1196 
   C  18    1.7320     3.4252     2.6457     3.1196     3.6055     2.5036 
   C  19    1.0000     4.1468     3.0000     3.1623     4.0000     3.1623 
   H  20    5.6200     1.6788     1.6200     1.9038     0.6200     1.9038 
   H  21    5.0383     0.8901     1.1766     1.9038     0.6200     1.0698 
   H  22    3.5248     2.9083     1.1766     0.6200     1.9038     2.0939 
   H  23    4.3156     3.2380     1.6200     0.6200     1.9038     2.6200 
   H  24    4.4071     0.9341     1.8500     2.8500     2.1030     0.8500 
   H  25    5.2559     3.1229     1.9038     1.1766     1.6200     2.8044 
   H  26    5.7083     2.6112     1.9038     1.6200     1.1766     2.5738 
   H  27    2.9920     2.3451     2.1829     2.9967     2.9527     1.5968 
   H  28    3.0625     2.0295     1.4156     2.1997     2.2716     1.0813 
   H  29    4.2745     1.3800     2.2146     3.2069     2.5618     1.2347 
   H  30    3.1408     3.5573     1.8397     1.2564     2.6009     2.6815 
   H  31    3.1408     2.0583     1.8397     2.6815     2.6009     1.2564 
   H  32    6.0288     1.1766     2.9083     3.8024     2.5468     2.1114 
   H  33    5.7803     1.6200     3.2380     4.2100     3.1229     2.2901 
   H  34    4.9273     1.1766     2.5121     3.5086     2.6112     1.5200 
   H  35    5.4417     1.1766     1.4955     2.0403     0.6265     1.5200 
   H  36    6.3069     1.6200     2.3716     2.8292     1.4445     2.2901 
   H  37    6.2344     1.1766     2.5557     3.2566     1.8568     2.1114 
   H  38    4.9642     1.1121     2.4825     3.4769     2.5579     1.4956 
   H  39    5.6160     1.8397     3.3533     4.3433     3.3422     2.3716 
   H  40    5.1113     2.3520     3.5505     4.5475     3.7717     2.5558 
   H  41    4.3767     3.0634     3.8121     4.7546     4.2868     2.9083 
   H  42    3.7353     3.6200     4.0130     4.8708     4.6521     3.2380 
   H  43    3.1465     3.0634     3.1995     4.0204     3.9142     2.5121 
   H  44    1.8397     4.6841     3.1408     2.8388     4.0601     3.6974 
   H  45    1.8397     3.6773     3.1408     3.6974     4.0601     2.8388 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.2361     0.0000 
   C   9    3.1197     1.5060     0.0000 
   C  10    3.9664     2.5036     1.0000     0.0000 
   C  11    2.5036     1.0000     2.4494     3.4252     0.0000 
   C  12    3.1196     1.0000     0.8965     1.7527     1.7320     0.0000 
   C  13    3.5026     3.1196     2.0000     1.7321     4.1144     2.8754 
   C  14    2.1297     2.9093     2.6458     3.0000     3.7320     3.2348 
   C  15    4.8440     3.0880     1.7320     1.0000     3.8730     2.1466 
   C  16    4.1231     3.1623     1.7321     1.0001     4.1468     2.6084 
   C  17    3.5026     1.7320     2.8753     3.7416     1.0000     2.0000 
   C  18    3.9664     1.7320     1.7526     2.3108     2.0000     1.0000 
   C  19    4.1231     2.0000     2.6084     3.2869     1.7320     1.7320 
   H  20    1.1766     2.6200     2.9036     3.5257     3.2380     3.2380 
   H  21    1.6200     2.0939     2.0632     2.6489     2.9083     2.5121 
   H  22    1.6200     1.0698     2.5121     3.5086     0.8901     2.0631 
   H  23    1.1766     1.9038     3.2380     4.2101     1.6788     2.9035 
   H  24    3.0203     2.1030     0.9341     1.0829     3.1027     1.7939 
   H  25    0.6200     2.5738     3.6355     4.5229     2.6112     3.5256 
   H  26    0.6200     2.8044     3.5257     4.2931     3.1229     3.6354 
   H  27    3.5963     1.6769     0.6199     1.0812     2.4738     0.7421 
   H  28    2.8275     0.9207     0.6200     1.5967     1.8326     0.4250 
   H  29    3.4558     2.2905     0.8743     0.6201     3.2726     1.7675 
   H  30    2.2268     1.4158     2.9210     3.9164     0.6201     2.2901 
   H  31    3.2512     1.4158     0.3381     1.1438     2.2901     0.6201 
   H  32    3.5336     3.5256     2.5559     2.3521     4.4996     3.4038 
   H  33    4.1222     3.6354     2.3716     1.8397     4.6353     3.2678 
   H  34    3.5803     2.7933     1.4956     1.1121     3.7919     2.3913 
   H  35    1.5227     2.4659     2.5121     3.0634     3.2101     2.9496 
   H  36    2.1134     3.3410     3.2380     3.6201     4.0776     3.7731 
   H  37    2.7426     3.4082     2.9083     3.0634     4.2802     3.6050 
   H  38    3.5312     2.7898     1.5201     1.1767     3.7893     2.4139 
   H  39    4.3348     3.6494     2.2901     1.6200     4.6463     3.1815 
   H  40    4.7222     3.6036     2.1114     1.1766     4.5609     2.9240 
   H  41    5.1430     3.5620     2.1114     1.1766     4.4036     2.6720 
   H  42    5.4095     3.5449     2.2900     1.6199     4.2462     2.5621 
   H  43    4.6095     2.6745     1.5200     1.1766     3.3729     1.6866 
   H  44    3.8313     2.2901     3.4937     4.3603     1.4158     2.6200 
   H  45    4.5045     2.2901     1.9463     2.2321     2.6200     1.4158 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7320     0.0000 
   C  15    2.6458     4.0000     0.0000 
   C  16    1.0000     2.6457     1.7321     0.0000 
   C  17    4.7602     4.6251     3.9415     4.6039     0.0000 
   C  18    3.7416     4.2341     2.2680     3.2869     1.7320     0.0000 
   C  19    4.6039     4.8365     3.2569     4.2426     1.0000     1.0000 
   H  20    2.6112     1.0063     4.4985     3.4095     4.2100     4.2100 
   H  21    1.8848     0.8248     3.6234     2.5815     3.8024     3.5086 
   H  22    3.8024     3.0874     4.1517     4.0478     1.8848     2.6488 
   H  23    4.2100     3.1407     4.9340     4.6200     2.6112     3.5256 
   H  24    1.0828     1.9293     2.0791     1.1500     3.6914     2.6867 
   H  25    4.1222     2.7203     5.3674     4.7270     3.5803     4.2930 
   H  26    3.5803     2.0031     5.2189     4.3156     4.1222     4.5229 
   H  27    2.5068     3.2656     1.4155     2.0295     2.6770     1.2639 
   H  28    2.5068     2.8113     2.1829     2.3451     2.2809     1.4228 
   H  29    1.2347     2.3800     1.6200     0.8743     3.7486     2.5428 
   H  30    4.4114     3.7832     4.4362     4.5610     1.4158     2.6200 
   H  31    2.3304     2.9497     1.6865     1.9916     2.6200     1.4158 
   H  32    0.6200     1.5200     3.2567     1.5679     5.2171     4.3079 
   H  33    0.6200     2.2901     2.6009     0.8743     5.2171     4.0510 
   H  34    0.6200     2.1114     2.0403     0.5572     4.3440     3.1954 
   H  35    2.1114     0.6200     4.0477     2.9083     4.1411     3.9426 
   H  36    2.2901     0.6201     4.6201     3.2380     5.0164     4.7722 
   H  37    1.5200     0.6200     4.0478     2.5121     5.1385     4.5913 
   H  38    0.5572     2.0403     2.1115     0.6200     4.3565     3.2322 
   H  39    0.8743     2.6008     2.2901     0.6200     5.1635     3.8982 
   H  40    1.5678     3.2566     1.5201     0.6200     4.9175     3.4540 
   H  41    2.5121     4.0477     0.6200     1.5201     4.5329     2.8802 
   H  42    3.2380     4.6200     0.6200     2.2901     4.1824     2.4549 
   H  43    2.9083     4.0478     0.6200     2.1115     3.3604     1.6614 
   H  44    5.3616     5.1385     4.5330     5.2233     0.6201     2.2901 
   H  45    3.8362     4.5598     1.9267     3.2321     2.2901     0.6201 

              C  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   H  20    4.6200     0.0000 
   H  21    4.0478     0.8768     0.0000 
   H  22    2.5815     2.4531     2.2910     0.0000 
   H  23    3.4095     2.2910     2.4531     0.8768     0.0000 
   H  24    3.5246     2.4590     1.5852     2.9167     3.4700     0.0000 
   H  25    4.3156     1.7346     2.2400     1.7346     1.0000     3.6112 
   H  26    4.7270     1.0000     1.7346     2.2400     1.7346     3.2782 
   H  27    2.2148     3.4891     2.6663     2.7448     3.5494     1.4963 
   H  28    2.1296     2.8498     2.0993     1.9714     2.7569     1.4255 
   H  29    3.4540     2.9317     2.0570     3.2032     3.8242     0.4732 
   H  30    2.2901     3.1408     2.9814     0.6981     1.2096     3.4638 
   H  31    2.2901     3.1408     2.3258     2.4697     3.2488     1.2712 
   H  32    5.1356     2.5036     1.9418     4.0848     4.3798     1.6219 
   H  33    4.9679     3.2098     2.5036     4.3798     4.8185     1.5372 
   H  34    4.0971     2.8527     2.0256     3.6055     4.1273     0.6950 
   H  35    4.4462     0.5037     0.4502     2.5121     2.5222     1.9863 
   H  36    5.3140     0.9473     1.2709     3.3470     3.2380     2.5483 
   H  37    5.2710     1.5938     1.3880     3.6772     3.7598     2.0659 
   H  38    4.1259     2.7898     1.9680     3.5858     4.0949     0.6870 
   H  39    4.8441     3.4827     2.7296     4.4626     4.9591     1.5556 
   H  40    4.4436     4.0292     3.1976     4.5475     5.1662     1.7151 
   H  41    3.8729     4.6652     3.7914     4.6073     5.3494     2.2064 
   H  42    3.3898     5.1069     4.2335     4.6147     5.4271     2.6981 
   H  43    2.6428     4.4134     3.5569     3.7437     4.5653     2.1322 
   H  44    1.4158     4.6469     4.3138     2.2268     2.8184     4.2986 
   H  45    1.4158     4.6469     3.8896     3.2512     4.1273     2.8453 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    4.0684     4.0483     0.0000 
   H  28    3.2798     3.3100     0.7971     0.0000 
   H  29    4.0352     3.7383     1.2868     1.4767     0.0000 
   H  30    2.2007     2.8388     3.0243     2.3231     3.6947     0.0000 
   H  31    3.7329     3.6974     0.3522     0.4983     1.1664     2.8060 
   H  32    4.1486     3.5026     3.0941     3.0132     1.8414     4.7323 
   H  33    4.7419     4.1884     2.7883     2.9379     1.5143     4.9684 
   H  34    4.1884     3.7600     1.9400     2.0635     0.6533     4.1588 
   H  35    2.1254     1.4764     3.1164     2.5410     2.4594     3.2101 
   H  36    2.6356     1.8103     3.8564     3.3548     3.0000     4.0429 
   H  37    3.3244     2.5718     3.5193     3.1810     2.4594     4.3691 
   H  38    4.1410     3.7026     1.9808     2.0775     0.6950     4.1469 
   H  39    4.9517     4.4440     2.6367     2.8867     1.4158     5.0194 
   H  40    5.3207     4.9304     2.2545     2.7298     1.3470     5.0177 
   H  41    5.6974     5.4624     1.9300     2.6420     1.7346     4.9453 
   H  42    5.9153     5.8052     1.8777     2.6726     2.2400     4.8349 
   H  43    5.0918     5.0402     1.0254     1.8217     1.7346     3.9589 
   H  44    3.8162     4.4483     3.2928     2.8955     4.3663     1.6200 
   H  45    4.8636     5.0398     1.3490     1.7987     2.6027     3.2401 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    2.8921     0.0000 
   H  33    2.6787     0.8768     0.0000 
   H  34    1.8071     1.2400     0.8768     0.0000 
   H  35    2.7760     2.0379     2.7145     2.3520     0.0000 
   H  36    3.5317     1.9721     2.8059     2.7145     0.8769     0.0000 
   H  37    3.2348     1.1121     1.9721     2.0379     1.2399     0.8768 
   H  38    1.8368     1.1766     0.8606     0.0739     2.2883     2.6423 
   H  39    2.5727     1.2478     0.3800     0.8607     2.9813     3.1408 
   H  40    2.3082     2.0738     1.2477     1.1766     3.5282     3.8414 
   H  41    2.1465     3.0874     2.3258     1.9641     4.1877     4.6614 
   H  42    2.1911     3.8414     3.1408     2.6422     4.6614     5.2400 
   H  43    1.3601     3.5283     2.9814     2.2884     4.0000     4.6615 
   H  44    3.2401     5.8042     5.8284     4.9571     4.6252     5.4933 
   H  45    1.6200     4.4338     4.0572     3.2469     4.3351     5.1288 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    1.9641     0.0000 
   H  39    2.3258     0.8768     0.0000 
   H  40    3.0874     1.2399     0.8768     0.0000 
   H  41    4.0000     2.0379     1.9721     1.1121     0.0000 
   H  42    4.6614     2.7145     2.8059     1.9721     0.8768     0.0000 
   H  43    4.1878     2.3521     2.7145     2.0379     1.2399     0.8768 
   H  44    5.6732     4.9680     5.7805     5.5365     5.1312     4.7439 
   H  45    4.8538     3.2952     3.8521     3.2869     2.5455     1.9823 

              H  43      H  44      H  45
              ---------------------------------
   H  43    0.0000 
   H  44    3.9416     0.0000 
   H  45    1.3090     2.8060     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0835412704
   N   2   -0.3045664176
   C   3    0.0112993398
   C   4   -0.0418983367
   C   5   -0.0418983367
   C   6    0.0196706266
   C   7   -0.0513553481
   C   8   -0.0396271390
   C   9   -0.0341924457
   C  10   -0.0452803413
   C  11   -0.0566119634
   C  12   -0.0566119634
   C  13   -0.0127408906
   C  14   -0.0127408906
   C  15   -0.0626156667
   C  16   -0.0626156667
   C  17   -0.0431129334
   C  18   -0.0431129334
   C  19    0.0409932982
   H  20    0.0274250939
   H  21    0.0274250939
   H  22    0.0274250939
   H  23    0.0274250939
   H  24    0.0471005557
   H  25    0.0265826516
   H  26    0.0265826516
   H  27    0.0283059852
   H  28    0.0283059852
   H  29    0.0295972023
   H  30    0.0620904064
   H  31    0.0620904064
   H  32    0.0390615853
   H  33    0.0390615853
   H  34    0.0390615853
   H  35    0.0390615853
   H  36    0.0390615853
   H  37    0.0390615853
   H  38    0.0232338557
   H  39    0.0232338557
   H  40    0.0232338557
   H  41    0.0232338557
   H  42    0.0232338557
   H  43    0.0232338557
   H  44    0.0632152064
   H  45    0.0632152064


BOND ANGLES
   6    2   13   C3   N3   C3    120.001
   6    2   14   C3   N3   C3    119.999
  13    2   14   C3   N3   C3    120.001
   4    3    5   C3   C3   C3     90.000
   4    3    6   C3   C3   C3    179.974
   4    3    8   C3   C3  Car     90.000
   5    3    6   C3   C3   C3     90.000
   5    3    8   C3   C3  Car    179.974
   6    3    8   C3   C3  Car     90.000
   3    4    7   C3   C3   C3     90.000
   3    4   22   C3   C3   HC     90.000
   3    4   23   C3   C3   HC    179.974
   7    4   22   C3   C3   HC    179.974
   7    4   23   C3   C3   HC     90.000
  22    4   23   HC   C3   HC     90.000
   3    5    7   C3   C3   C3     90.000
   3    5   20   C3   C3   HC    179.974
   3    5   21   C3   C3   HC     90.000
   7    5   20   C3   C3   HC     90.000
   7    5   21   C3   C3   HC    179.974
  20    5   21   HC   C3   HC     90.000
   2    6    3   N3   C3   C3    120.001
   2    6    9   N3   C3   C3    120.001
   2    6   24   N3   C3   HC     59.999
   3    6    9   C3   C3   C3    119.998
   3    6   24   C3   C3   HC    179.974
   9    6   24   C3   C3   HC     60.002
   4    7    5   C3   C3   C3     90.000
   4    7   25   C3   C3   HC     90.000
   4    7   26   C3   C3   HC    179.974
   5    7   25   C3   C3   HC    179.974
   5    7   26   C3   C3   HC     90.000
  25    7   26   HC   C3   HC     90.000
   3    8   11   C3  Car  Car    120.001
   3    8   12   C3  Car  Car    120.001
  11    8   12  Car  Car  Car    119.999
   6    9   10   C3   C3   C3    119.998
   6    9   27   C3   C3   HC    160.007
   6    9   28   C3   C3   HC     79.998
  10    9   27   C3   C3   HC     79.995
  10    9   28   C3   C3   HC    160.004
  27    9   28   HC   C3   HC     80.009
   9   10   15   C3   C3   C3    120.001
   9   10   16   C3   C3   C3    119.998
   9   10   29   C3   C3   HC     60.003
  15   10   16   C3   C3   C3    120.001
  15   10   29   C3   C3   HC    179.974
  16   10   29   C3   C3   HC     59.995
   8   11   17  Car  Car  Car    120.001
   8   11   30  Car  Car   HC    120.002
  17   11   30  Car  Car   HC    119.997
   8   12   18  Car  Car  Car    120.001
   8   12   31  Car  Car   HC    120.002
  18   12   31  Car  Car   HC    119.997
   2   13   32   N3   C3   HC     90.000
   2   13   33   N3   C3   HC    179.974
   2   13   34   N3   C3   HC     90.000
  32   13   33   HC   C3   HC     90.000
  32   13   34   HC   C3   HC    179.974
  33   13   34   HC   C3   HC     90.000
   2   14   35   N3   C3   HC     89.999
   2   14   36   N3   C3   HC    179.974
   2   14   37   N3   C3   HC     90.001
  35   14   36   HC   C3   HC     90.005
  35   14   37   HC   C3   HC    179.974
  36   14   37   HC   C3   HC     89.995
  10   15   41   C3   C3   HC     89.999
  10   15   42   C3   C3   HC    179.974
  10   15   43   C3   C3   HC     90.001
  41   15   42   HC   C3   HC     90.000
  41   15   43   HC   C3   HC    179.974
  42   15   43   HC   C3   HC     90.000
  10   16   38   C3   C3   HC     90.004
  10   16   39   C3   C3   HC    179.974
  10   16   40   C3   C3   HC     89.996
  38   16   39   HC   C3   HC     90.000
  38   16   40   HC   C3   HC    179.974
  39   16   40   HC   C3   HC     90.000
  11   17   19  Car  Car  Car    120.001
  11   17   44  Car  Car   HC    119.997
  19   17   44  Car  Car   HC    120.002
  12   18   19  Car  Car  Car    120.001
  12   18   45  Car  Car   HC    119.997
  19   18   45  Car  Car   HC    120.002
   1   19   17   Cl  Car  Car    120.001
   1   19   18   Cl  Car  Car    120.001
  17   19   18  Car  Car  Car    119.999


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


CHIRAL ATOMS
  45   18   19   17    179.974