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Teniposide
Teniposide ID: B184438
CAS:29767-20-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:[C@@H]12[C@@H](c3c([C@H]([C@H]1C(=O)OC2)c1cc(c(c(c1)OC)O)OC)cc1c(c3)OCO1)OC1C(C(C2OC(c3sccc3)OCC2O1)O)O	
FORMULA: C32H32O13S
MASS: 656.6537
EXACT MASS: 656.1563621
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7510     0.0000 
   C   3    1.2958     0.7546     0.0000 
   C   4    1.4972     1.3065     0.7500     0.0000 
   C   5    0.7500     1.3044     1.4972     1.2958     0.0000 
   C   6    1.2921     1.5000     1.2900     0.7426     0.7463     0.0000 
   C   7    3.4081     2.6728     2.5753     3.2482     3.9413     3.8652 
   C   8    1.9736     1.2843     1.4958     2.2458     2.5887     2.6892 
   O   9    4.1407     3.3996     3.2402     3.8704     4.6504     4.5247 
   C  10    2.2347     1.4838     1.2894     1.9764     2.6903     2.5794 
   C  11    2.9779     2.2270     1.9682     2.5846     3.4168     3.2451 
   O  12    2.5815     1.9621     2.2375     2.9875     3.2531     3.4142 
   O  13    1.2935     0.7375     1.2956     1.9805     1.9791     2.2375 
   C  14    3.2417     2.5665     2.6831     3.4167     3.8709     3.9372 
   C  15    1.9727     2.2458     1.9713     1.2864     1.2885     0.7458 
   C  16    4.6445     3.9265     3.8647     4.5316     5.2126     5.1547 
   C  17    1.2110     1.9239     2.2343     2.0213     0.7485     1.3694 
   C  18    1.9727     1.2918     0.7411     1.2915     2.2383     1.9673 
   C  19    2.2363     1.9795     1.2879     0.7391     1.9719     1.2875 
   C  20    3.4125     3.7333     3.4117     2.6790     2.6800     2.2333 
   O  21    1.2149     1.9548     2.4792     2.4779     1.2123     1.9491 
   C  22    5.3628     4.6357     4.5234     5.1598     5.9095     5.8106 
   C  23    0.7497     1.3666     2.0218     2.2361     1.2143     1.9180 
   O  24    4.5178     3.8487     3.9305     4.6468     5.1531     5.2018 
   C  25    3.2450     3.4206     2.9750     2.2250     2.5748     1.9673 
   C  26    2.9750     3.4183     3.2416     2.5707     2.2250     1.9660 
   C  27    2.6877     2.2404     1.4859     1.2875     2.5833     1.9693 
   C  28    2.5833     1.9751     1.2875     1.4900     2.6900     2.2326 
   C  29    2.5785     2.6921     2.2292     1.4792     1.9665     1.2864 
   C  30    2.2292     2.6892     2.5743     1.9610     1.4792     1.2843 
   S  31    5.6867     4.9412     4.7190     5.2897     6.1685     5.9818 
   C  32    3.8580     3.2252     3.4037     4.1432     4.5238     4.6399 
   O  33    3.2958     2.6460     2.0053     2.2212     3.4314     2.9629 
   O  34    3.4290     2.9704     2.2175     2.0044     3.2952     2.6413 
   C  35    3.7513     3.1773     2.4649     2.4675     3.7529     3.1732 
   C  36    5.9465     5.2377     5.1845     5.8436     6.5291     6.4744 
   O  37    1.9341     2.6101     2.8017     2.4237     1.3288     1.6884 
   C  38    6.4090     5.6657     5.4537     6.0233     6.9002     6.7167 
   C  39    6.5702     5.8449     5.7248     6.3472     7.1190     7.0092 
   O  40    2.6843     1.9653     1.4871     1.9777     2.9842     2.6872 
   O  41    3.4116     2.6797     2.2296     2.6872     3.7268     3.4109 
   O  42    4.1430     4.4750     4.1424     3.4035     3.4043     2.9750 
   O  43    3.4020     3.9399     3.8606     3.2334     2.6690     2.5707 
   O  44    3.8628     3.9426     3.4028     2.6700     3.2359     2.5707 
   C  45    4.1287     4.6434     4.5141     3.8498     3.3897     3.2302 
   C  46    3.9401     3.8771     3.2416     2.5707     3.4094     2.6816 

              C   7      C   8      O   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4822     0.0000 
   O   9    0.7432     2.2255     0.0000 
   C  10    1.2859     0.7468     1.9651     0.0000 
   C  11    0.7417     1.2875     1.2859     0.7432     0.0000 
   O  12    1.2833     0.7417     1.9612     1.2900     1.4859     0.0000 
   O  13    2.2255     0.7432     2.9687     1.2875     1.9653     1.2879 
   C  14    0.7447     1.2822     1.2875     1.4875     1.2885     0.7375 
   C  15    4.5276     3.4183     5.1567     3.2476     3.8709     4.1493 
   C  16    1.2894     2.6755     0.7458     2.5753     1.9672     2.2239 
   C  17    4.5964     3.1821     5.3203     3.3779     4.1150     3.7878 
   C  18    1.9712     1.2993     2.5789     0.7500     1.2931     1.9766 
   C  19    3.4135     2.6921     3.9411     2.2375     2.6892     3.4166 
   C  20    5.9084     4.8876     6.4898     4.6513     5.2142     5.6237 
   O  21    4.5522     3.0786     5.2932     3.4326     4.1740     3.5790 
   C  22    1.9682     3.4019     1.2894     3.2402     2.5753     2.9671 
   C  23    3.8467     2.3651     4.5898     2.7907     3.5216     2.8314 
   O  24    1.4833     2.5644     1.2848     2.6751     2.2250     1.9560 
   C  25    5.3662     4.4708     5.9071     4.1451     4.6502     5.2125 
   C  26    5.8083     4.6502     6.4410     4.5256     5.1552     5.3672 
   C  27    2.9792     2.5856     3.4127     1.9727     2.2375     3.2488 
   C  28    2.2375     1.9790     2.6872     1.2956     1.4958     2.5856 
   C  29    4.6451     3.7250     5.2073     3.4101     3.9385     4.4667 
   C  30    5.1495     3.9385     5.8059     3.8637     4.5237     4.6463 
   S  31    2.2981     3.7801     1.5551     3.4796     2.7548     3.4591 
   C  32    1.2848     1.9554     1.4853     2.2250     1.9623     1.2765 
   O  33    2.1285     2.3651     2.3804     1.6191     1.4497     2.8314 
   O  34    3.2915     3.1788     3.5883     2.4952     2.5715     3.7842 
   C  35    2.8519     3.0742     3.0244     2.3351     2.1933     3.5726 
   C  36    2.6096     3.9730     1.9887     3.8952     3.2652     3.4528 
   O  37    5.2675     3.8873     5.9790     4.0189     4.7432     4.5154 
   C  38    3.0084     4.4861     2.2691     4.2103     3.4885     4.1213 
   C  39    3.1777     4.6050     2.4847     4.4456     3.7662     4.1355 
   O  40    1.4792     1.4838     1.9607     0.7370     0.7375     1.9610 
   O  41    1.2885     1.9685     1.4875     1.2875     0.7447     2.2305 
   O  42    6.6142     5.6237     7.1772     5.3681     5.9098     6.3612 
   O  43    6.4359     5.2064     7.0905     5.1500     5.8070     5.9020 
   O  44    5.6150     4.8810     6.0892     4.4625     4.8793     5.6169 
   C  45    7.0848     5.8980     7.7202     5.8008     6.4343     6.6035 
   C  46    5.2125     4.6548     5.6228     4.1471     4.4708     5.3712 

              O  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   C  14    1.9619     0.0000 
   C  15    2.9833     4.6491     0.0000 
   C  16    3.4019     1.4864     5.8139     0.0000 
   C  17    2.5010     4.4527     1.6238     5.8469     0.0000 
   C  18    1.4936     2.2375     2.5778     3.2466     2.9741     0.0000 
   C  19    2.5836     3.7250     1.4879     4.6519     2.6536     1.4875 
   C  20    4.4708     6.0932     1.4875     7.1796     2.7344     3.9373 
   O  21    2.3431     4.2903     2.3357     5.7446     0.7450     3.1814 
   C  22    4.1343     2.2296     6.4462     0.7432     6.5593     3.8683 
   C  23    1.6225     3.5492     2.4998     5.0138     1.2125     2.6536 
   O  24    3.2301     1.2822     5.9018     0.7406     5.7285     3.4078 
   C  25    4.1471     5.6186     1.2864     6.6158     2.8313     3.4068 
   C  26    4.1451     5.9031     1.2843     7.0958     2.1220     3.8621 
   C  27    2.6875     3.4141     2.2347     4.1474     3.3043     1.2864 
   C  28    2.2383     2.6901     2.6845     3.4160     3.4382     0.7447 
   C  29    3.4125     4.8782     0.7426     5.9057     2.3655     2.6780 
   C  30    3.4101     5.2034     0.7391     6.4390     1.4429     3.2376 
   S  31    4.5233     2.7357     6.5670     1.3271     6.8548     4.0146 
   C  32    2.5644     0.7375     5.3611     1.2876     5.0636     2.9750 
   O  33    2.7868     2.7381     3.3688     3.1260     4.1797     1.3570 
   O  34    3.3721     3.8336     2.7828     4.3340     4.0000     1.9062 
   C  35    3.4271     3.4815     3.4270     3.7618     4.4878     1.9413 
   C  36    4.6849     2.7299     7.1280     1.3211     7.1533     4.5545 
   O  37    3.2275     5.1656     1.5967     6.5338     0.7472     3.5383 
   C  38    5.2282     3.3874     7.2991     1.9172     7.5827     4.7494 
   C  39    5.3327     3.4017     7.6329     1.9308     7.7682     5.0568 
   O  40    1.9630     1.9609     3.2518     2.6760     3.7184     0.7460 
   O  41    2.5750     1.9696     3.9413     2.2333     4.4608     1.4885 
   O  42    5.2125     6.8202     2.2292     7.8770     3.3977     4.6445 
   O  43    4.6434     6.4783     1.9610     7.7253     2.3637     4.5181 
   O  44    4.6457     5.9500     1.9610     6.8195     3.5502     3.7125 
   C  45    5.3560     7.1616     2.5635     8.3730     3.1009     5.1413 
   C  46    4.5309     5.6220     2.2305     6.3641     3.8530     3.4076 

              C  19      C  20      O  21      C  22      C  23      O  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.5778     0.0000 
   O  21    3.1784     3.4757     0.0000 
   C  22    5.2135     7.7726     6.4772     0.0000 
   C  23    2.9741     3.8336     0.7552     5.7503     0.0000 
   O  24    4.8777     7.3249     5.5339     1.2876     4.7842     0.0000 
   C  25    1.9660     0.7468     3.5694     7.1781     3.7850     6.8146 
   C  26    2.6786     0.7432     2.8442     7.7305     3.2883     7.1664 
   C  27    0.7468     3.2467     3.7550     4.6508     3.4370     4.4625 
   C  28    1.2900     3.8678     3.7567     3.9423     3.3040     3.7209 
   C  29    1.2843     1.2935     3.0700     6.4866     3.1776     6.0833 
   C  30    2.2270     1.2915     2.1849     7.0930     2.5658     6.4751 
   S  31    5.2384     7.8162     6.8471     0.7463     6.1448     1.9917 
   C  32    4.4625     6.8153     4.8302     1.9677     4.0770     0.7432 
   O  33    1.9092     4.4493     4.4837     3.5449     4.0000     3.5621 
   O  34    1.3574     3.5492     4.4815     4.7418     4.1785     4.7514 
   C  35    1.9461     4.2903     4.8875     4.1017     4.4861     4.2519 
   C  36    5.9291     8.4772     7.0198     0.7409     6.2788     1.5516 
   O  37    2.9319     2.2957     1.3303     7.2354     1.9381     6.4456 
   C  38    5.9596     8.5370     7.5606     1.1972     6.8508     2.4723 
   C  39    6.3612     8.9331     7.6753     1.2097     6.9430     2.2858 
   O  40    1.9804     4.5369     3.8988     3.2367     3.3292     2.9625 
   O  41    2.5830     5.1609     4.6264     2.6831     4.0331     2.6780 
   O  42    3.2416     0.7417     4.1277     8.4540     4.5345     8.0432 
   O  43    3.4031     1.2875     3.0072     8.3781     3.5758     7.7536 
   O  44    2.2250     1.2875     4.2819     7.3289     4.4501     7.0901 
   C  45    3.9252     1.4797     3.7359     9.0096     4.3132     8.4309 
   C  46    1.9673     1.9693     4.5505     6.8268     4.5995     6.6958 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.2875     0.0000 
   C  27    2.5778     3.4086     0.0000 
   C  28    3.2416     3.9346     0.7417     0.0000 
   C  29    0.7458     1.4879     1.9673     2.5743     0.0000 
   C  30    1.4879     0.7458     2.9738     3.4059     1.2875     0.0000 
   S  31    7.1797     7.8449     4.6079     3.9484     6.5227     7.2484 
   C  32    6.3516     6.6038     4.1408     3.4108     5.6099     5.8939 
   O  33    3.7762     4.5876     1.2027     0.7418     3.1671     4.1009 
   O  34    2.8226     3.8410     0.7418     1.2027     2.3537     3.5109 
   C  35    3.5700     4.5474     1.2096     1.2070     3.0676     4.1647 
   C  36    7.8950     8.4112     5.3814     4.6666     7.1959     7.7587 
   O  37    2.5757     1.5942     3.6467     3.9061     2.2971     1.0879 
   C  38    7.8926     8.5757     5.3167     4.6699     7.2437     7.9825 
   C  39    8.3182     8.9168     5.7616     5.0767     7.6420     8.2895 
   O  40    3.9464     4.5305     1.5000     0.7583     3.2498     3.9387 
   O  41    4.5294     5.2087     1.9726     1.2931     3.8673     4.6444 
   O  42    1.2900     1.2879     3.8678     4.5254     1.9713     1.9699 
   O  43    1.9678     0.7426     4.1393     4.6412     2.2305     1.2864 
   O  44    0.7391     1.9637     2.6790     3.4035     1.2843     2.2270 
   C  45    2.2264     1.2792     4.6382     5.1974     2.6758     1.9595 
   C  46    1.2875     2.5750     2.2333     2.9750     1.4879     2.6808 

              S  31      C  32      O  33      O  34      C  35      C  36
              ------------------------------------------------------------------
   S  31    0.0000 
   C  32    2.6140     0.0000 
   O  33    3.4340     3.3993     0.0000 
   O  34    4.5810     4.5318     1.2083     0.0000 
   C  35    3.8833     4.1313     0.7475     0.7542     0.0000 
   C  36    1.2048     2.2947     4.2846     5.4825     4.8411     0.0000 
   O  37    7.4964     5.7919     4.6429     4.2854     4.8551     7.8473 
   C  38    0.7350     3.1649     4.1312     5.2525     4.5365     1.2032 
   C  39    1.2065     3.0252     4.6086     5.7734     5.0848     0.7552 
   O  40    3.3152     2.6689     0.8850     1.8740     1.6147     3.9489 
   O  41    2.6554     2.5733     0.8942     2.1011     1.5773     3.4182 
   O  42    8.4679     7.5453     5.0658     4.0829     4.8355     9.1659 
   O  43    8.5228     7.1601     5.3091     4.5833     5.2872     9.0451 
   O  44    7.2553     6.6875     3.8214     2.7247     3.4750     8.0603 
   C  45    9.1200     7.8534     5.8312     5.0042     5.7347     9.6892 
   C  46    6.6984     6.3554     3.2847     2.1204     2.8506     7.5650 

              O  37      C  38      C  39      O  40      O  41      O  42
              ------------------------------------------------------------------
   O  37    0.0000 
   C  38    8.2284     0.0000 
   C  39    8.4450     0.7442     0.0000 
   O  40    4.2825     4.0475     4.3995     0.0000 
   O  41    5.0225     3.3779     3.7914     0.7426     0.0000 
   O  42    2.8775     9.1820     9.6017     5.2181     5.8158     0.0000 
   O  43    1.6771     9.2559     9.5732     5.2087     5.9024     1.4900 
   O  44    3.3148     7.9475     8.4264     4.1493     4.6474     1.4900 
   C  45    2.4063     9.8499    10.1957     5.8070     6.4784     1.2876 
   C  46    3.7474     7.3729     7.8862     3.7333     4.1493     2.2326 

              O  43      O  44      C  45      C  46
              --------------------------------------------
   O  43    0.0000 
   O  44    2.5750     0.0000 
   C  45    0.7375     2.6785     0.0000 
   C  46    3.2416     0.7426     3.4048     0.0000 



ATOMIC CHARGES
   C   1    0.0864818698
   C   2    0.1439389886
   C   3    0.0043268648
   C   4   -0.0163694427
   C   5    0.1133603687
   C   6    0.0553704497
   C   7    0.1805533735
   C   8    0.2696847755
   O   9   -0.3239235389
   C  10    0.2404506499
   C  11    0.2166725182
   O  12   -0.3258470966
   O  13   -0.3264173602
   C  14    0.1770541402
   C  15   -0.0116604931
   C  16    0.2662895521
   C  17    0.3172921753
   C  18    0.0379452819
   C  19    0.0360105510
   C  20    0.2627185065
   O  21   -0.4483729643
   C  22    0.0631241876
   C  23    0.2116660983
   O  24   -0.3240429306
   C  25    0.1801577221
   C  26    0.1801577221
   C  27    0.1761001893
   C  28    0.1761643843
   C  29    0.0364934573
   C  30    0.0364934573
   S  31   -0.0858798892
   C  32    0.1771865521
   O  33   -0.4346402219
   O  34   -0.4346411082
   C  35    0.4294030464
   C  36    0.0075713249
   O  37   -0.2500936557
   C  38    0.0352780242
   C  39    0.0073135071
   O  40   -0.2148648858
   O  41   -0.2175112378
   O  42   -0.2800504403
   O  43   -0.4680980772
   O  44   -0.4680980772
   C  45    0.2526258406
   C  46    0.2526258406


BOND ANGLES
   2    1    5   C3   C3   C3    120.690
   2    1   23   C3   C3   C3    131.179
   5    1   23   C3   C3   C3    108.130
   1    2    3   C3   C3  Car    118.782
   1    2   13   C3   C3   O3    120.690
   3    2   13  Car   C3   O3    120.528
   2    3   18   C3  Car  Car    119.451
   2    3    4   C3  Car  Car    120.528
   4    3   18  Car  Car  Car    120.021
   6    4   19   C3  Car  Car    120.665
   3    4    6  Car  Car   C3    119.589
   3    4   19  Car  Car  Car    119.746
   1    5    6   C3   C3   C3    119.430
   1    5   17   C3   C3   C2    107.832
   6    5   17   C3   C3   C2    132.738
   4    6    5  Car   C3   C3    120.981
   4    6   15  Car   C3  Car    119.589
   5    6   15   C3   C3  Car    119.430
   9    7   14   O3   C3   C3    119.835
  11    7   14   C3   C3   C3    120.188
   9    7   11   O3   C3   C3    119.977
  10    8   13   C3   C3   O3    119.556
  12    8   13   O3   C3   O3    120.301
  10    8   12   C3   C3   O3    120.143
   7    9   16   C3   O3   C3    119.979
   8   10   11   C3   C3   C3    119.556
   8   10   40   C3   C3   O3    179.320
  11   10   40   C3   C3   O3     59.764
  10   11   41   C3   C3   O3    119.835
   7   11   10   C3   C3   C3    119.977
   7   11   41   C3   C3   O3    120.188
   8   12   14   C3   O3   C3    120.184
   2   13    8   C3   O3   C3    120.301
   7   14   12   C3   C3   O3    119.952
   7   14   32   C3   C3   C3    120.190
  12   14   32   O3   C3   C3    119.858
   6   15   29   C3  Car  Car    119.589
   6   15   30   C3  Car  Car    119.746
  29   15   30  Car  Car  Car    120.665
  22   16   24  Car   C3   O3    120.392
   9   16   24   O3   C3   O3    119.629
   9   16   22   O3   C3  Car    119.979
   5   17   37   C3   C2   O2    125.358
   5   17   21   C3   C2   O3    108.527
  21   17   37   O3   C2   O2    126.115
   3   18   28  Car  Car  Car    120.116
   4   19   27  Car  Car  Car    120.111
  26   20   42  Car  Car   O3    120.301
  25   20   26  Car  Car  Car    119.556
  25   20   42  Car  Car   O3    120.143
  17   21   23   C2   O3   C3    107.844
  16   22   31   C3  Car   S2    125.995
  16   22   36   C3  Car  Car    125.785
  31   22   36   S2  Car  Car    108.220
   1   23   21   C3   C3   O3    107.667
  16   24   32   C3   O3   C3    120.392
  29   25   44  Car  Car   O3    119.746
  20   25   29  Car  Car  Car    120.143
  20   25   44  Car  Car   O3    120.111
  20   26   30  Car  Car  Car    120.301
  20   26   43  Car  Car   O3    120.110
  30   26   43  Car  Car   O3    119.589
  19   27   34  Car  Car   O3    131.527
  19   27   28  Car  Car  Car    120.143
  28   27   34  Car  Car   O3    108.330
  18   28   33  Car  Car   O3    131.807
  18   28   27  Car  Car  Car    119.863
  27   28   33  Car  Car   O3    108.330
  15   29   25  Car  Car  Car    119.589
  15   30   26  Car  Car  Car    119.746
  22   31   38  Car   S2  Car    107.849
  14   32   24   C3   C3   O3    119.975
  28   33   35  Car   O3   C3    108.282
  27   34   35  Car   O3   C3    107.906
  33   35   34   O3   C3   O3    107.151
  22   36   39  Car  Car  Car    107.910
  31   38   39   S2  Car  Car    109.299
  36   39   38  Car  Car  Car    106.722
  26   43   45  Car   O3   C3    119.589
  25   44   46  Car   O3   C3    120.665


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


CHIRAL ATOMS
  36   39   38   31      0.026
  36   39   38   31      0.026
  36   39   38   31      0.026
  36   39   38   31      0.026
  36   39   38   31      0.026
  36   39   38   31      0.026
  36   39   38   31      0.026
  36   39   38   31      0.026
  36   39   38   31      0.026
  36   39   38   31      0.026