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(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one ID: AN-49566
CAS:1624-62-0
Supplier:AN PharmaTech Co Ltd

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SMILES:O=C1[C@@]2([C@H]([C@H]3[C@H](CC2)c2c(CC3)cc(OC)cc2)CC1)C	92895
FORMULA: C19H24O2
MASS: 284.3927
EXACT MASS: 284.1776300
INTERATOMIC DISTANCES

              O   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    7.9233     0.0000 
   C   3    2.5818     5.7704     0.0000 
   C   4    1.7763     6.1970     1.0000     0.0000 
   C   5    3.4782     4.7859     1.0000     1.7320     0.0000 
   C   6    3.7443     4.1971     1.7321     2.0000     1.0001     0.0000 
   C   7    2.2532     5.7545     1.7320     1.0000     2.0000     1.7321 
   C   8    2.5788     6.5758     0.9941     1.6118     1.8227     2.6956 
   C   9    3.2419     4.7666     2.0000     1.7321     1.7321     1.0000 
   C  10    4.3421     4.5717     1.7603     2.6799     1.0416     1.7760 
   C  11    1.0000     7.1733     1.6117     0.9941     2.5575     2.9792 
   C  12    1.7763     7.3784     1.6094     1.6094     2.5961     3.3000 
   C  13    1.2825     6.7459     2.0000     1.0000     2.6457     2.6458 
   C  14    4.7782     3.1554     2.6903     3.0416     1.7761     1.0417 
   C  15    5.2660     3.6451     2.7088     3.5322     1.8002     2.0694 
   C  16    5.4528     2.7889     3.0693     3.6767     2.0694     1.8002 
   C  17    5.3028     2.7889     3.5694     3.6913     2.7597     1.8377 
   C  18    6.5116     1.8082     4.1543     4.7386     3.1543     2.7996 
   C  19    6.3849     1.8081     4.5413     4.7502     3.6509     2.8242 
   C  20    6.9250     1.0000     4.7851     5.1970     3.8084     3.1971 
   C  21    8.4222     1.0000     6.4461     6.7565     5.4923     4.7829 
   H  22    3.3129     5.6143     0.8501     1.8475     1.0164     2.0085 
   H  23    3.4630     5.3869     0.9281     1.9236     0.8500     1.8500 
   H  24    2.9026     5.0470     1.0829     1.1501     0.9341     0.8500 
   H  25    1.7470     6.3624     2.0295     1.0812     2.5068     2.3451 
   H  26    2.5370     5.7675     2.3451     1.5968     2.5068     2.0295 
   H  27    3.1769     6.2017     1.1150     1.9966     1.6048     2.5791 
   H  28    2.8781     7.0255     1.6056     2.1923     2.3524     3.2738 
   H  29    3.2709     5.0109     2.5068     2.0295     2.3451     1.5967 
   H  30    3.8490     4.2398     2.5069     2.3452     2.0296     1.0812 
   H  31    4.7673     4.7616     2.2140     3.1852     1.6387     2.3901 
   H  32    3.9743     5.1902     1.4463     2.4380     1.1174     2.0634 
   H  33    2.2907     7.6870     1.9925     2.1908     2.9160     3.7238 
   H  34    1.5282     7.9576     2.1908     1.9925     3.1878     3.8335 
   H  35    0.6861     7.2512     2.0939     1.1766     2.9083     3.0875 
   H  36    1.3088     7.1356     2.6200     1.6200     3.2380     3.1408 
   H  37    1.8942     6.2613     2.0939     1.1766     2.5121     2.2884 
   H  38    5.8839     3.2850     3.3288     4.1438     2.4124     2.5786 
   H  39    5.4586     4.0755     2.8771     3.7897     2.0981     2.5712 
   H  40    5.0660     3.2896     3.6209     3.5716     2.9372     1.9465 
   H  41    6.9398     1.9286     4.4975     5.1637     3.5076     3.2886 
   H  42    6.7517     1.9285     5.0525     5.1804     4.1983     3.3216 
   H  43    7.9090     1.1766     6.0308     6.2768     5.1050     4.3331 
   H  44    8.7747     1.6200     6.9046     7.1518     5.9725     5.2098 
   H  45    8.9490     1.1766     6.8922     7.2575     5.9194     5.2673 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5576     0.0000 
   C   9    1.0001     2.9792     0.0000 
   C  10    3.0415     2.1808     2.6902     0.0000 
   C  11    1.8227     1.6095     2.6956     3.3656     0.0000 
   C  12    2.5961     0.9941     3.3000     3.1355     0.9940     0.0000 
   C  13    1.0000     2.4915     2.0000     3.6421     1.1742     2.1425 
   C  14    2.6800     3.5940     1.7604     2.0693     4.0197     4.2917 
   C  15    3.6767     3.2206     3.0693     1.0416     4.3177     4.1648 
   C  16    3.5322     3.8053     2.7088     1.8001     4.5907     4.6549 
   C  17    3.0639     4.5296     2.0646     3.1541     4.6843     5.1179 
   C  18    4.5103     4.8737     3.6103     2.7916     5.6671     5.7373 
   C  19    4.1488     5.4655     3.1493     3.8199     5.7443     6.1240 
   C  20    4.7673     5.6126     3.7859     3.6752     6.1740     6.3944 
   C  21    6.1937     7.3101     5.1936     5.4072     7.7481     8.0521 
   H  22    2.5326     1.0126     2.5932     1.1697     2.3142     1.9706 
   H  23    2.5298     1.2365     2.5023     0.9540     2.4694     2.1814 
   H  24    1.0828     2.0748     0.9341     1.9719     2.1321     2.5269 
   H  25    0.6199     2.6825     1.5968     3.5371     1.5645     2.4828 
   H  26    0.6200     3.1756     1.0812     3.5408     2.3102     3.1597 
   H  27    2.8394     0.6200     3.0651     1.6841     2.1908     1.6057 
   H  28    3.1606     0.6200     3.5980     2.5112     1.9925     1.1150 
   H  29    1.0813     3.4520     0.6200     3.3101     2.9036     3.6387 
   H  30    1.5969     3.5000     0.6200     2.8551     3.3147     3.8923 
   H  31    3.6295     2.4068     3.3101     0.6200     3.7726     3.3982 
   H  32    2.9921     1.6329     2.8478     0.6200     2.9776     2.6163 
   H  33    3.1879     1.1149     3.8335     3.2735     1.6057     0.6201 
   H  34    2.9160     1.6057     3.7238     3.7553     1.1149     0.6200 
   H  35    1.5679     2.3278     2.5559     3.8345     0.7680     1.7543 
   H  36    1.4158     3.0740     2.3716     4.2474     1.6203     2.6143 
   H  37    0.5572     2.7866     1.4956     3.5490     1.7136     2.6214 
   H  38    4.2428     3.8180     3.5693     1.6387     4.9376     4.7729 
   H  39    4.0707     3.2039     3.5631     1.1174     4.4786     4.1871 
   H  40    2.8140     4.6090     1.8532     3.5000     4.5467     5.0899 
   H  41    5.0176     5.1322     4.1535     2.9756     6.0579     6.0414 
   H  42    4.4994     5.9982     3.5132     4.4232     6.1713     6.6124 
   H  43    5.6669     6.9276     4.6693     5.1224     7.2707     7.6265 
   H  44    6.5283     7.7950     5.5332     5.9507     8.1458     8.5020 
   H  45    6.7364     7.7234     5.7371     5.7450     8.2445     8.5016 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.6421     0.0000 
   C  15    4.4288     1.8001     0.0000 
   C  16    4.4289     1.0416     1.0416     0.0000 
   C  17    4.0634     1.0850     2.7996     1.8500     0.0000 
   C  18    5.4453     1.8499     1.8377     1.0850     2.1555     0.0000 
   C  19    5.1484     1.8750     3.1971     2.1555     1.0850     1.8750 
   C  20    5.7550     2.1555     2.8243     1.8751     1.8751     1.0851 
   C  21    7.1936     3.7623     4.5391     3.6071     3.1316     2.7276 
   H  22    2.8467     2.7529     2.2082     2.8288     3.7685     3.8831 
   H  23    2.9221     2.5490     1.9877     2.6006     3.5781     3.6542 
   H  24    1.8635     1.8916     2.6052     2.5750     2.5991     3.6155 
   H  25    0.4682     3.2997     4.2421     4.1446     3.6464     5.1295 
   H  26    1.2648     2.8385     4.0730     3.7860     2.9979     4.6879 
   H  27    2.9547     3.3572     2.7209     3.4131     4.3641     4.4529 
   H  28    3.0057     4.1271     3.5442     4.2380     5.0969     5.2819 
   H  29    1.9884     2.2030     3.6572     3.2097     2.2286     4.0302 
   H  30    2.5914     1.4309     3.0207     2.4601     1.4836     3.2385 
   H  31    4.1701     2.5785     1.1172     2.0980     3.6570     2.9536 
   H  32    3.4346     2.5712     1.6387     2.4124     3.6437     3.4116 
   H  33    2.7621     4.6705     4.3151     4.9200     5.5597     5.9884 
   H  34    2.2673     4.8460     4.7835     5.2540     5.6253     6.3381 
   H  35    0.6200     4.1141     4.7081     4.8255     4.6175     5.8721 
   H  36    0.6200     4.0937     5.0045     4.9396     4.3937     5.9260 
   H  37    0.6200     3.2208     4.2227     4.0882     3.5314     5.0586 
   H  38    5.0261     2.0981     0.6200     1.1173     2.9664     1.5080 
   H  39    4.7377     2.4124     0.6200     1.6387     3.4195     2.2820 
   H  40    3.7950     1.4963     3.2886     2.4033     0.6200     2.7754 
   H  41    5.9245     2.4032     1.9464     1.4962     2.7754     0.6200 
   H  42    5.4905     2.4336     3.8171     2.7754     1.4963     2.4336 
   H  43    6.6651     3.3416     4.3279     3.3382     2.6062     2.5971 
   H  44    7.5247     4.2145     5.1131     4.1545     3.4741     3.3210 
   H  45    7.7357     4.2323     4.8213     3.9557     3.6865     2.9838 

              C  19      C  20      C  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.0849     0.0000 
   C  21    2.0473     1.7320     0.0000 
   H  22    4.6219     4.6695     6.3860     0.0000 
   H  23    4.4130     4.4443     6.1627     0.2289     0.0000 
   H  24    3.6330     4.0470     5.6193     1.6712     1.6010     0.0000 
   H  25    4.7306     5.3787     6.7778     2.8748     2.9143     1.6375 
   H  26    4.0692     4.8059     6.1110     3.1286     3.1099     1.5730 
   H  27    5.2274     5.2650     6.9853     0.6059     0.8233     2.1311 
   H  28    6.0021     6.0821     7.7971     1.4128     1.6390     2.6885 
   H  29    3.2917     4.0634     5.3301     3.1673     3.0924     1.4963 
   H  30    2.5661     3.2796     4.6134     2.9894     2.8623     1.4255 
   H  31    4.2211     3.9342     5.6543     1.4666     1.3044     2.5728 
   H  32    4.3814     4.2864     6.0177     0.6683     0.5194     1.9992 
   H  33    6.5312     6.7193     8.4082     2.1163     2.3436     3.0060 
   H  34    6.6534     6.9685     8.6080     2.5905     2.8013     3.0266 
   H  35    5.7001     6.2543     7.7389     2.8943     3.0134     2.2566 
   H  36    5.4731     6.1574     7.5189     3.4665     3.5417     2.4104 
   H  37    4.6141     5.2814     6.6613     2.9325     2.9608     1.6193 
   H  38    3.1508     2.5774     4.2309     2.8082     2.5920     3.1849 
   H  39    3.7865     3.3277     5.0095     2.2236     2.0305     2.9879 
   H  40    1.4963     2.4337     3.4995     3.9519     3.7836     2.5734 
   H  41    2.4336     1.4963     2.9185     4.1229     3.8965     4.0710 
   H  42    0.6200     1.4962     1.8443     5.1862     4.9824     4.0953 
   H  43    1.5279     1.5200     0.6200     6.0373     5.8192     5.1539 
   H  44    2.4016     2.2900     0.6199     6.8939     6.6738     6.0304 
   H  45    2.6111     2.1115     0.6201     6.7736     6.5472     6.1123 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.7971     0.0000 
   H  27    3.0749     3.4560     0.0000 
   H  28    3.2418     3.7756     0.8294     0.0000 
   H  29    1.5278     0.7846     3.6041     4.0711     0.0000 
   H  30    2.1653     1.5278     3.5129     4.1121     0.7971     0.0000 
   H  31    4.1001     4.1454     1.8233     2.5980     3.9300     3.4658 
   H  32    3.4085     3.5518     1.0879     1.9061     3.4574     3.1294 
   H  33    3.1006     3.7640     1.6106     0.8637     4.2101     4.4079 
   H  34    2.6771     3.4236     2.2067     1.6106     3.9911     4.3335 
   H  35    1.0878     1.8848     2.8727     2.7530     2.5979     3.1630 
   H  36    0.7967     1.4196     3.5602     3.5581     2.2036     2.9109 
   H  37    0.1546     0.6451     3.1585     3.3553     1.3883     2.0481 
   H  38    4.8215     4.6052     3.2969     4.1108     4.1328     3.4433 
   H  39    4.6019     4.5179     2.6385     3.4250     4.1678     3.5759 
   H  40    3.3510     2.6343     4.5255     5.2033     1.8497     1.2332 
   H  41    5.6331     5.2346     4.6598     5.4863     4.6025     3.8176 
   H  42    5.0532     4.3434     5.7899     6.5498     3.5588     2.9028 
   H  43    6.2397     5.5531     6.6418     7.4394     4.7693     4.0754 
   H  44    7.0942     6.3936     7.4970     8.2999     5.6090     4.9334 
   H  45    7.3289     6.6799     7.3651     8.1861     5.9027     5.1698 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.7982     0.0000 
   H  33    3.4278     2.6951     0.0000 
   H  34    4.0124     3.2340     0.8295     0.0000 
   H  35    4.3078     3.5326     2.3548     1.7483     0.0000 
   H  36    4.7838     4.0533     3.2231     2.6212     0.8768     0.0000 
   H  37    4.1219     3.4470     3.2376     2.8273     1.2400     0.8768 
   H  38    1.5714     2.2090     4.9016     5.3924     5.3204     5.5931 
   H  39    0.8295     1.5715     4.2478     4.8053     4.9499     5.3351 
   H  40    4.0485     3.9269     5.5792     5.5528     4.3815     4.0530 
   H  41    3.0107     3.5834     6.2391     6.6532     6.3188     6.4292 
   H  42    4.8363     4.9745     7.0449     7.1215     6.0657     5.7621 
   H  43    5.4275     5.7192     8.0115     8.1666     7.2236     6.9674 
   H  44    6.2241     6.5548     8.8826     9.0433     8.0888     7.8115 
   H  45    5.9374     6.3627     8.8308     9.0703     8.2687     8.0803 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    4.7944     0.0000 
   H  39    4.6000     0.7982     0.0000 
   H  40    3.2212     3.5181     3.9048     0.0000 
   H  41    5.5715     1.4482     2.2429     3.3954     0.0000 
   H  42    4.9263     3.7621     4.4060     1.7091     2.9537     0.0000 
   H  43    6.1186     4.0970     4.8455     2.9258     2.9130     1.2403 
   H  44    6.9701     4.8282     5.6000     3.7596     3.5351     2.0516 
   H  45    7.2166     4.4479     5.2422     4.0868     3.0526     2.4563 

              H  43      H  44      H  45
              ---------------------------------
   H  43    0.0000 
   H  44    0.8768     0.0000 
   H  45    1.2401     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.2968201574
   O   2   -0.4951021229
   C   3   -0.0251695603
   C   4    0.0292950971
   C   5   -0.0301894654
   C   6   -0.0124483205
   C   7   -0.0400916591
   C   8   -0.0423554375
   C   9   -0.0450468294
   C  10   -0.0453753254
   C  11    0.1394713774
   C  12    0.0066671591
   C  13   -0.0525644713
   C  14   -0.0406050839
   C  15   -0.0270220712
   C  16   -0.0404504745
   C  17   -0.0545867962
   C  18   -0.0165101772
   C  19   -0.0196718421
   C  20    0.1203706663
   C  21    0.0787863264
   H  22    0.0313035457
   H  23    0.0309624567
   H  24    0.0351652486
   H  25    0.0274817476
   H  26    0.0274817476
   H  27    0.0272291636
   H  28    0.0272291636
   H  29    0.0271432899
   H  30    0.0271432899
   H  31    0.0271321233
   H  32    0.0271321233
   H  33    0.0341805688
   H  34    0.0341805688
   H  35    0.0239176158
   H  36    0.0239176158
   H  37    0.0239176158
   H  38    0.0313359863
   H  39    0.0313359863
   H  40    0.0621588503
   H  41    0.0656821812
   H  42    0.0654088253
   H  43    0.0659931513
   H  44    0.0659931513
   H  45    0.0659931513


BOND ANGLES
  20    2   21  Car   O3   C3    119.994
   4    3    5   C3   C3   C3    120.001
   4    3    8   C3   C3   C3    107.855
   4    3   22   C3   C3   HC    173.929
   5    3    8   C3   C3   C3    132.144
   5    3   22   C3   C3   HC     66.070
   8    3   22   C3   C3   HC     66.074
   3    4    7   C3   C3   C3    120.001
   3    4   11   C3   C3   C2    107.850
   3    4   13   C3   C3   C3    179.974
   7    4   11   C3   C3   C2    132.149
   7    4   13   C3   C3   C3     59.999
  11    4   13   C2   C3   C3     72.150
   3    5    6   C3   C3   C3    120.001
   3    5   10   C3   C3   C3    119.121
   3    5   23   C3   C3   HC     59.567
   6    5   10   C3   C3   C3    120.878
   6    5   23   C3   C3   HC    179.568
  10    5   23   C3   C3   HC     59.554
   5    6    9   C3   C3   C3    119.998
   5    6   14   C3   C3  Car    120.883
   5    6   24   C3   C3   HC     59.999
   9    6   14   C3   C3  Car    119.119
   9    6   24   C3   C3   HC     59.999
  14    6   24  Car   C3   HC    179.119
   4    7    9   C3   C3   C3    120.001
   4    7   25   C3   C3   HC     80.000
   4    7   26   C3   C3   HC    160.009
   9    7   25   C3   C3   HC    159.999
   9    7   26   C3   C3   HC     79.990
  25    7   26   HC   C3   HC     80.009
   3    8   12   C3   C3   C3    108.092
   3    8   27   C3   C3   HC     83.974
   3    8   28   C3   C3   HC    167.941
  12    8   27   C3   C3   HC    167.934
  12    8   28   C3   C3   HC     83.967
  27    8   28   HC   C3   HC     83.967
   6    9    7   C3   C3   C3    119.998
   6    9   29   C3   C3   HC    160.004
   6    9   30   C3   C3   HC     79.997
   7    9   29   C3   C3   HC     79.998
   7    9   30   C3   C3   HC    160.005
  29    9   30   HC   C3   HC     80.007
   5   10   15   C3   C3   C3    119.565
   5   10   31   C3   C3   HC    160.294
   5   10   32   C3   C3   HC     80.154
  15   10   31   C3   C3   HC     80.141
  15   10   32   C3   C3   HC    160.281
  31   10   32   HC   C3   HC     80.140
   1   11    4   O2   C2   C3    125.951
   1   11   12   O2   C2   C3    125.947
   4   11   12   C3   C2   C3    108.101
   8   12   11   C3   C3   C2    108.101
   8   12   33   C3   C3   HC     83.961
   8   12   34   C3   C3   HC    167.927
  11   12   33   C2   C3   HC    167.938
  11   12   34   C2   C3   HC     83.971
  33   12   34   HC   C3   HC     83.966
   4   13   35   C3   C3   HC     90.000
   4   13   36   C3   C3   HC    179.974
   4   13   37   C3   C3   HC     90.000
  35   13   36   HC   C3   HC     90.000
  35   13   37   HC   C3   HC    179.974
  36   13   37   HC   C3   HC     90.000
   6   14   16   C3  Car  Car    119.559
   6   14   17   C3  Car  Car    119.554
  16   14   17  Car  Car  Car    120.887
  10   15   16   C3   C3  Car    119.556
  10   15   38   C3   C3   HC    160.295
  10   15   39   C3   C3   HC     80.155
  16   15   38  Car   C3   HC     80.148
  16   15   39  Car   C3   HC    160.288
  38   15   39   HC   C3   HC     80.140
  14   16   15  Car  Car   C3    119.559
  14   16   18  Car  Car  Car    120.881
  15   16   18   C3  Car  Car    119.560
  14   17   19  Car  Car  Car    119.554
  14   17   40  Car  Car   HC    120.227
  19   17   40  Car  Car   HC    120.218
  16   18   20  Car  Car  Car    119.560
  16   18   41  Car  Car   HC    120.219
  20   18   41  Car  Car   HC    120.220
  17   19   20  Car  Car  Car    119.562
  17   19   42  Car  Car   HC    120.217
  20   19   42  Car  Car   HC    120.221
   2   20   18   O3  Car  Car    120.219
   2   20   19   O3  Car  Car    120.226
  18   20   19  Car  Car  Car    119.555
   2   21   43   O3   C3   HC     89.999
   2   21   44   O3   C3   HC    179.974
   2   21   45   O3   C3   HC     89.997
  43   21   44   HC   C3   HC     90.008
  43   21   45   HC   C3   HC    179.974
  44   21   45   HC   C3   HC     89.997


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


CHIRAL ATOMS
  42   19   20   18    179.974
  42   19   20   18    179.974
  42   19   20   18    179.974
  42   19   20   18    179.974