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Bis(4-amino-2-chloro-3,5-diethylphenyl)methane
Bis(4-amino-2-chloro-3,5-diethylphenyl)methane ID: API-28734
CAS:106246-33-7
Supplier:APIchem

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SMILES:Clc1c(Cc2c(Cl)c(c(N)c(c2)CC)CC)cc(c(N)c1CC)CC	ChemMol.com
FORMULA: C21H28Cl2N2
MASS: 379.3664
EXACT MASS: 378.1629543
INTERATOMIC DISTANCES

             Cl   1     Cl   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.4641     0.0000 
   N   3    3.4641     6.0000     0.0000 
   N   4    3.4641     3.4641     6.9282     0.0000 
   C   5    2.0000     2.0000     4.0000     4.0000     0.0000 
   C   6    1.7320     3.0000     3.0000     4.5826     1.0000     0.0000 
   C   7    1.7320     1.7321     4.5826     3.0000     1.0000     1.7320 
   C   8    1.7321     4.5826     1.7320     5.1962     2.6458     1.7321 
   C   9    3.0000     1.7320     6.2450     1.7321     2.6458     3.4641 
   C  10    3.0000     4.5826     1.7321     6.2450     2.6457     1.7320 
   C  11    1.7320     3.0000     5.1962     1.7320     2.6457     3.0000 
   C  12    2.6458     1.0000     5.5678     2.6458     1.7321     2.6458 
   C  13    1.0000     3.6055     2.6458     4.3589     1.7320     1.0000 
   C  14    2.6457     3.6056     2.6458     5.5678     1.7320     1.0000 
   C  15    1.0000     2.6458     4.3589     2.6457     1.7320     2.0000 
   C  16    2.6458     5.0001     1.0000     6.0828     3.0000     2.0000 
   C  17    2.6457     2.6458     6.0828     1.0000     3.0000     3.6055 
   C  18    2.0000     5.2915     2.0000     5.2915     3.4641     2.6458 
   C  19    4.0000     2.0000     7.2111     2.0000     3.4641     4.3589 
   C  20    4.0000     5.2915     2.0000     7.2111     3.4641     2.6457 
   C  21    2.0000     4.0000     5.2915     2.0000     3.4641     3.6055 
   C  22    1.7321     5.1962     3.0000     4.5826     3.6055     3.0000 
   C  23    4.5826     1.7320     7.5499     3.0000     3.6056     4.5826 
   C  24    4.5826     5.1962     3.0000     7.5498     3.6055     3.0000 
   C  25    1.7321     4.5826     4.5826     3.0000     3.6056     3.4641 
   H  26    2.5068     1.4332     4.5875     3.9399     0.6200     1.5968 
   H  27    2.5068     2.1943     3.9400     4.5875     0.6200     1.0813 
   H  28    3.1407     3.4849     3.1408     5.8193     1.8397     1.4158 
   H  29    0.3800     3.1408     3.7980     3.1407     1.8396     1.7732 
   H  30    2.5068     5.6350     1.4332     5.8749     3.7220     2.8113 
   H  31    2.5069     5.8750     2.1944     5.6350     4.0761     3.2657 
   H  32    3.9399     2.5069     7.2796     1.4331     3.7221     4.5430 
   H  33    4.5875     2.5069     7.8279     2.1943     4.0762     4.9780 
   H  34    4.5875     5.8749     2.1943     7.8279     4.0761     3.2657 
   H  35    3.9399     5.6350     1.4332     7.2795     3.7220     2.8113 
   H  36    2.5069     4.5876     5.6351     2.1943     4.0762     4.1713 
   H  37    2.5069     3.9400     5.8750     1.4331     3.7221     4.0024 
   H  38    5.0675     2.3520     8.1225     3.0634     4.2047     5.1724 
   H  39    5.0104     1.8396     7.8169     3.6200     3.8242     4.8212 
   H  40    4.1339     1.1121     6.9853     3.0634     3.0148     4.0019 
   H  41    2.3521     5.8162     3.0634     5.0675     4.2047     3.5505 
   H  42    1.8397     5.2331     3.6200     4.2029     3.8242     3.3533 
   H  43    1.1121     4.5762     3.0634     4.1339     3.0148     2.4825 
   H  44    4.1339     4.5762     3.0634     6.9853     3.0148     2.4825 
   H  45    5.0104     5.2330     3.6200     7.8169     3.8242     3.3533 
   H  46    5.0675     5.8161     3.0634     8.1225     4.2047     3.5505 
   H  47    1.1121     4.1340     4.1339     3.0634     3.0148     2.8442 
   H  48    1.8397     5.0105     4.2029     3.6200     3.8242     3.5192 
   H  49    2.3521     5.0676     5.0675     3.0634     4.2047     4.0841 
   H  50    4.0131     6.3328     0.6200     7.4716     4.3433     3.3533 
   H  51    3.5192     6.3328     0.6200     6.9559     4.3433     3.3533 
   H  52    4.0130     3.5191     7.4716     0.6201     4.3433     5.0104 
   H  53    3.5191     4.0130     6.9559     0.6200     4.3433     4.8212 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0000     0.0000 
   C   9    1.7321     4.5827     0.0000 
   C  10    3.4641     1.7321     5.1962     0.0000 
   C  11    1.7320     3.4641     1.7321     4.5826     0.0000 
   C  12    1.0001     4.0001     1.0000     4.3589     2.0000     0.0000 
   C  13    2.0000     1.0001     3.6056     2.0000     2.6457     3.0000 
   C  14    2.6457     2.0000     4.3589     1.0000     4.0000     3.4641 
   C  15    1.0000     2.6458     2.0000     3.6055     1.0000     1.7321 
   C  16    3.6056     1.0000     5.2916     1.0001     4.3589     4.5827 
   C  17    2.0000     4.3589     1.0001     5.2915     1.0000     1.7321 
   C  18    3.6055     1.0000     5.0001     2.6458     3.6056     4.5826 
   C  19    2.6458     5.5678     1.0000     6.0828     2.6458     1.7320 
   C  20    4.3589     2.6458     6.0828     1.0000     5.5678     5.1962 
   C  21    2.6457     3.6056     2.6458     5.0000     1.0000     3.0000 
   C  22    3.4641     1.7320     4.5826     3.4641     3.0000     4.3590 
   C  23    3.0000     6.0000     1.7320     6.2450     3.4641     2.0000 
   C  24    4.5826     3.4641     6.2450     1.7320     6.0000     5.2915 
   C  25    3.0000     3.0000     3.4642     4.5826     1.7321     3.6056 
   H  26    1.0812     3.2657     2.4059     3.1512     2.8113     1.4155 
   H  27    1.5967     2.8114     3.1512     2.4059     3.2657     2.1829 
   H  28    2.8292     2.6200     4.4727     1.4157     4.3433     3.5192 
   H  29    1.4157     2.0699     2.6200     3.2069     1.4158     2.2901 
   H  30    4.0023     1.0812     5.4894     2.4059     4.1712     4.9969 
   H  31    4.1713     1.5968     5.4895     3.1513     4.0024     5.1332 
   H  32    2.8114     5.5909     1.0812     6.2748     2.4059     2.0296 
   H  33    3.2657     6.1775     1.5967     6.7004     3.1512     2.3451 
   H  34    4.9779     3.1512     6.7004     1.5967     6.1774     5.8078 
   H  35    4.5429     2.4059     6.2748     1.0812     5.5908     5.4395 
   H  36    3.2657     4.0024     3.1513     5.4895     1.5968     3.5890 
   H  37    2.8114     4.1713     2.4060     5.4895     1.0813     2.9562 
   H  38    3.5505     6.5443     2.1114     6.8484     3.8121     2.5557 
   H  39    3.3533     6.3328     2.2900     6.4221     4.0130     2.3715 
   H  40    2.4825     5.4719     1.5200     5.6451     3.1995     1.4955 
   H  41    4.0841     2.1114     5.1725     3.8121     3.5505     4.9754 
   H  42    3.5191     2.2901     4.4187     4.0131     2.7431     4.3319 
   H  43    2.8441     1.5200     4.0019     3.1995     2.4825     3.7437 
   H  44    4.0019     3.1995     5.6452     1.5200     5.4719     4.6842 
   H  45    4.8212     4.0130     6.4222     2.2900     6.3328     5.4428 
   H  46    5.1724     3.8121     6.8484     2.1114     6.5442     5.9015 
   H  47    2.4825     2.4825     3.1996     4.0019     1.5201     3.1880 
   H  48    3.3533     2.7431     4.0131     4.4187     2.2901     4.0602 
   H  49    3.5505     3.5505     3.8122     5.1724     2.1115     4.0751 
   H  50    5.0104     2.2901     6.7056     1.8397     5.7415     5.9770 
   H  51    4.8212     1.8396     6.4222     2.2901     5.2330     5.8193 
   H  52    3.3533     5.7415     1.8397     6.7056     2.2901     2.8292 
   H  53    3.3533     5.2330     2.2901     6.4222     1.8397     3.1408 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7320     0.0000 
   C  15    1.7320     3.0000     0.0000 
   C  16    1.7321     1.7321     3.4641     0.0000 
   C  17    3.4641     4.5826     1.7320     5.1962     0.0000 
   C  18    1.7321     3.0000     3.0000     1.7320     4.5826     0.0000 
   C  19    4.5826     5.1962     3.0000     6.2450     1.7321     6.0000 
   C  20    3.0000     1.7320     4.5826     1.7321     6.2450     3.4641 
   C  21    3.0000     4.5826     1.7320     4.5826     1.7320     3.4641 
   C  22    2.0000     3.6056     2.6458     2.6457     4.0000     1.0000 
   C  23    5.0000     5.2915     3.6055     6.5575     2.6458     6.5575 
   C  24    3.6055     2.0000     5.0000     2.6458     6.5574     4.3589 
   C  25    2.6458     4.3589     2.0000     4.0000     2.6458     2.6457 
   H  26    2.3451     2.1829     2.0295     3.5889     2.9561     4.0761 
   H  27    2.0295     1.4156     2.3451     2.9562     3.5889     3.7221 
   H  28    2.2900     0.6200     3.3533     2.2901     4.8212     3.6200 
   H  29    1.2347     2.7431     0.6200     2.9436     2.2900     2.3801 
   H  30    2.0295     2.9561     3.4977     1.4155     5.1331     0.6200 
   H  31    2.3452     3.5889     3.4977     2.1829     4.9969     0.6200 
   H  32    4.6339     5.4395     2.9561     6.3410     1.4156     5.9239 
   H  33    5.1957     5.8078     3.5889     6.8638     2.1829     6.5861 
   H  34    3.5889     2.3451     5.1957     2.1829     6.8637     3.8917 
   H  35    2.9561     2.0295     4.6339     1.4155     6.3409     3.1021 
   H  36    3.4978     5.1332     2.3452     4.9969     2.1829     3.7221 
   H  37    3.4978     4.9969     2.0296     5.1332     1.4156     4.0762 
   H  38    5.5456     5.9015     4.0750     7.1345     2.9083     7.0589 
   H  39    5.3370     5.4428     4.0601     6.8180     3.2380     6.9530 
   H  40    4.4738     4.6842     3.1879     5.9890     2.5121     6.0780 
   H  41    2.5559     4.0751     3.2567     2.9083     4.5475     1.1766 
   H  42    2.3716     4.0601     2.6009     3.2380     3.7289     1.6200 
   H  43    1.4956     3.1879     2.0403     2.5121     3.4769     1.1766 
   H  44    3.1879     1.4956     4.4739     2.5121     5.9890     4.1517 
   H  45    4.0601     2.3716     5.3371     3.2380     6.8179     4.9340 
   H  46    4.0750     2.5558     5.5456     2.9083     7.1345     4.6403 
   H  47    2.0403     3.7437     1.4956     3.4769     2.5121     2.2884 
   H  48    2.6009     4.3318     2.3716     3.7289     3.2380     2.2146 
   H  49    3.2567     4.9753     2.5558     4.5475     2.9083     3.0874 
   H  50    3.1408     2.8292     4.8708     1.4158     6.6018     2.6200 
   H  51    2.8292     3.1408     4.4726     1.4157     6.1647     1.7732 
   H  52    4.8708     5.9770     3.1408     6.6019     1.4158     5.8809 
   H  53    4.4726     5.8193     2.8292     6.1648     1.4158     5.2100 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    6.9282     0.0000 
   C  21    3.4641     6.0000     0.0000 
   C  22    5.5678     4.3589     2.6458     0.0000 
   C  23    1.0000     7.0000     4.3589     6.2450     0.0000 
   C  24    7.0000     1.0000     6.5574     5.1962     6.9282     0.0000 
   C  25    4.3590     5.5678     1.0001     1.7320     5.1962     6.2450 
   H  26    3.1021     3.8917     3.7220     4.1713     3.1102     3.8982 
   H  27    3.8917     3.1022     4.0761     4.0024     3.8981     3.1102 
   H  28    5.2330     1.8396     5.0104     4.2100     5.2100     1.7732 
   H  29    3.6200     4.2029     1.8397     2.0699     4.2100     4.7206 
   H  30    6.4872     3.1022     4.0761     1.5967     6.9906     4.0507 
   H  31    6.4872     3.8918     3.7220     1.0812     7.0887     4.8282 
   H  32    0.6201     7.1640     3.1021     5.3984     1.5968     7.3136 
   H  33    0.6200     7.5396     3.8917     6.1177     1.0813     7.5915 
   H  34    7.5396     0.6200     6.5860     4.8281     7.5914     1.0813 
   H  35    7.1640     0.6200     5.9239     4.0506     7.3135     1.5968 
   H  36    3.8918     6.4873     0.6201     2.8114     4.8282     7.0887 
   H  37    3.1022     6.4873     0.6200     3.2657     4.0507     6.9906 
   H  38    1.1766     7.6141     4.6402     6.6898     0.6200     7.5482 
   H  39    1.6199     7.1150     4.9339     6.7055     0.6200     6.9559 
   H  40    1.1766     6.3870     4.1517     5.8323     0.6200     6.3082 
   H  41    6.1505     4.6403     3.0875     0.6200     6.8485     5.5323 
   H  42    5.3763     4.9340     2.2146     0.6200     6.1257     5.7415 
   H  43    4.9942     4.1517     2.2884     0.6200     5.6451     4.9156 
   H  44    6.3870     1.1766     6.0780     4.9156     6.3082     0.6200 
   H  45    7.1151     1.6199     6.9530     5.7415     6.9559     0.6200 
   H  46    7.6141     1.1766     7.0588     5.5322     7.5482     0.6200 
   H  47    4.1518     4.9942     1.1766     1.5200     4.9156     5.6452 
   H  48    4.9340     5.3763     1.6200     1.2347     5.7415     6.1257 
   H  49    4.6403     6.1504     1.1767     2.1114     5.5323     6.8484 
   H  50    7.6541     1.7733     5.8809     3.6200     7.9350     2.7431 
   H  51    7.4071     2.6200     5.2100     2.7431     7.8169     3.6200 
   H  52    1.7732     7.6540     2.6200     5.1928     2.7430     7.9350 
   H  53    2.6200     7.4070     1.7732     4.4187     3.6200     7.8169 

              C  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   C  25    0.0000 
   H  26    4.0024     0.0000 
   H  27    4.1713     0.7971     0.0000 
   H  28    4.8708     2.1356     1.3414     0.0000 
   H  29    1.7733     2.2859     2.3980     3.1864     0.0000 
   H  30    3.2657     4.3419     3.8882     3.5650     2.8826     0.0000 
   H  31    2.8113     4.6853     4.3420     4.2080     2.8827     0.7971 
   H  32    4.0507     3.4440     4.2097     5.5403     3.5650     6.4467 
   H  33    4.8282     3.6945     4.4883     5.8294     4.2080     7.0839 
   H  34    6.1177     4.4883     3.6945     2.3980     4.8032     3.4641 
   H  35    5.3983     4.2097     3.4440     2.2859     4.1891     2.6670 
   H  36    1.0813     4.3420     4.6853     5.5836     2.3981     4.3420 
   H  37    1.5968     3.8882     4.3420     5.3796     2.2861     4.6853 
   H  38    5.5323     3.7227     4.5132     5.8285     4.6900     7.5135 
   H  39    5.7415     3.2724     4.0287     5.2915     4.6468     7.3538 
   H  40    4.9156     2.5013     3.2849     4.5920     3.7711     6.4848 
   H  41    2.1114     4.7787     4.5784     4.6900     2.6879     1.6343 
   H  42    1.2346     4.3463     4.2855     4.6468     2.1056     2.2128 
   H  43    1.5200     3.5681     3.4417     3.7711     1.4537     1.7880 
   H  44    5.8323     3.2849     2.5014     1.1752     4.2386     3.9245 
   H  45    6.7056     4.0288     3.2725     2.0000     5.1140     4.6496 
   H  46    6.6898     4.5133     3.7228     2.3825     5.2318     4.2641 
   H  47    0.6200     3.4417     3.5681     4.2513     1.1753     2.8995 
   H  48    0.6200     4.2855     4.3463     4.8860     2.0000     2.8249 
   H  49    0.6200     4.5784     4.7787     5.4903     2.3826     3.7001 
   H  50    5.1927     4.9034     4.2030     3.2380     4.3318     2.0484 
   H  51    4.4186     4.9496     4.3562     3.6739     3.8787     1.1541 
   H  52    3.6201     4.2029     4.9034     6.1810     3.6739     6.4566 
   H  53    2.7431     4.3562     4.9496     6.1235     3.2380     5.8131 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    6.3708     0.0000 
   H  33    7.0601     0.7971     0.0000 
   H  34    4.2612     7.7815     8.1494     0.0000 
   H  35    3.4641     7.3523     7.7815     0.7971     0.0000 
   H  36    3.8882     3.4641     4.2612     7.0601     6.3708     0.0000 
   H  37    4.3420     2.6670     3.4641     7.0840     6.4468     0.7971 
   H  38    7.5723     1.6344     0.8924     8.2074     7.9199     5.0577 
   H  39    7.5044     2.2128     1.6310     7.6890     7.4722     5.4201 
   H  40    6.6278     1.7880     1.5201     6.9761     6.7096     4.6702 
   H  41    0.8923     5.9562     6.6894     5.0576     4.2641     3.1531 
   H  42    1.6309     5.1437     5.8942     5.4201     4.6496     2.2846 
   H  43    1.5201     4.8557     5.5564     4.6701     3.9245     2.5758 
   H  44    4.6702     6.7096     6.9762     1.5201     1.7880     6.6279 
   H  45    5.4201     7.4723     7.6890     1.6309     2.2128     7.5044 
   H  46    5.0577     7.9200     8.2075     0.8924     1.6343     7.5723 
   H  47    2.5757     3.9245     4.6702     5.5564     4.8557     1.5201 
   H  48    2.2845     4.6496     5.4201     5.8942     5.1437     1.6310 
   H  49    3.1530     4.2642     5.0577     6.6893     5.9561     0.8924 
   H  50    2.7952     7.7567     8.2734     1.7992     1.1541     6.2392 
   H  51    1.7992     7.4252     8.0171     2.7951     2.0484     5.4932 
   H  52    6.2392     1.1540     1.7991     8.2734     7.7566     2.7952 
   H  53    5.4932     2.0483     2.7951     8.0171     7.4252     1.7992 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    4.2642     0.0000 
   H  39    4.6496     0.8768     0.0000 
   H  40    3.9245     1.2399     0.8768     0.0000 
   H  41    3.7002     7.2828     7.3165     6.4446     0.0000 
   H  42    2.8250     6.5278     6.6237     5.7624     0.8768     0.0000 
   H  43    2.8996     6.1022     6.0964     5.2218     1.2400     0.8768 
   H  44    6.4849     6.9282     6.3386     5.6883     5.3060     5.4279 
   H  45    7.3539     7.5736     6.9282     6.3386     6.1021     6.2700 
   H  46    7.5136     8.1681     7.5736     6.9282     5.8161     6.1021 
   H  47    1.7880     5.3060     5.4278     4.5762     2.0379     1.2250 
   H  48    2.2128     6.1022     6.2700     5.4278     1.5221     0.6582 
   H  49    1.6344     5.8162     6.1022     5.3060     2.3520     1.5221 
   H  50    6.4567     8.5209     8.1660     7.3548     3.6727     4.2400 
   H  51    5.8132     8.3713     8.1226     7.2731     2.6913     3.3533 
   H  52    2.0484     2.6913     3.3532     2.9282     5.6842     4.8213 
   H  53    1.1540     3.6727     4.2400     3.6727     4.8517     3.9755 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    4.5762     0.0000 
   H  45    5.4278     0.8768     0.0000 
   H  46    5.3059     1.2399     0.8768     0.0000 
   H  47    1.1121     5.2218     6.0964     6.1022     0.0000 
   H  48    1.2250     5.7624     6.6237     6.5278     0.8768     0.0000 
   H  49    2.0379     6.4446     7.3165     7.2828     1.2399     0.8768 
   H  50    3.6727     2.9283     3.3533     2.6913     4.7316     4.8212 
   H  51    2.9282     3.6727     4.2400     3.6727     4.0347     3.9755 
   H  52    4.7316     7.3548     8.1661     8.5209     3.6728     4.2400 
   H  53    4.0348     7.2731     8.1227     8.3713     2.9282     3.3533 

              H  49      H  50      H  51      H  52      H  53
              -------------------------------------------------------
   H  49    0.0000 
   H  50    5.6842     0.0000 
   H  51    4.8516     1.0739     0.0000 
   H  52    3.6728     8.0021     7.5229     0.0000 
   H  53    2.6914     7.5229     6.9282     1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0829080870
  Cl   2   -0.0829080870
   N   3   -0.3575051238
   N   4   -0.3575051238
   C   5    0.0003825249
   C   6   -0.0240786298
   C   7   -0.0240786298
   C   8   -0.0081669253
   C   9   -0.0081669253
   C  10   -0.0263703296
   C  11   -0.0263703296
   C  12    0.0493658036
   C  13    0.0493658036
   C  14   -0.0519418748
   C  15   -0.0519418748
   C  16    0.0323684210
   C  17    0.0323684210
   C  18   -0.0273856067
   C  19   -0.0273856067
   C  20   -0.0287718370
   C  21   -0.0287718370
   C  22   -0.0611622037
   C  23   -0.0611622037
   C  24   -0.0612067357
   C  25   -0.0612067357
   H  26    0.0362305948
   H  27    0.0362305948
   H  28    0.0624103177
   H  29    0.0624103177
   H  30    0.0311529180
   H  31    0.0311529180
   H  32    0.0311529180
   H  33    0.0311529180
   H  34    0.0311088394
   H  35    0.0311088394
   H  36    0.0311088394
   H  37    0.0311088394
   H  38    0.0232887248
   H  39    0.0232887248
   H  40    0.0232887248
   H  41    0.0232887248
   H  42    0.0232887248
   H  43    0.0232887248
   H  44    0.0232881830
   H  45    0.0232881830
   H  46    0.0232881830
   H  47    0.0232881830
   H  48    0.0232881830
   H  49    0.0232881830
   H  50    0.1423383577
   H  51    0.1423383577
   H  52    0.1423383577
   H  53    0.1423383577


BOND ANGLES
  16    3   50  Car  Npl   HC    120.001
  16    3   51  Car  Npl   HC    119.998
  50    3   51   HC  Npl   HC    120.002
  17    4   52  Car  Npl   HC    119.997
  17    4   53  Car  Npl   HC    120.002
  52    4   53   HC  Npl   HC    120.001
   6    5    7  Car   C3  Car    120.001
   6    5   26  Car   C3   HC    160.002
   6    5   27  Car   C3   HC     80.004
   7    5   26  Car   C3   HC     79.997
   7    5   27  Car   C3   HC    159.996
  26    5   27   HC   C3   HC     79.999
   5    6   13   C3  Car  Car    119.999
   5    6   14   C3  Car  Car    120.001
  13    6   14  Car  Car  Car    120.001
   5    7   12   C3  Car  Car    119.998
   5    7   15   C3  Car  Car    120.001
  12    7   15  Car  Car  Car    120.001
  13    8   16  Car  Car  Car    119.998
  13    8   18  Car  Car   C3    120.001
  16    8   18  Car  Car   C3    120.001
  12    9   17  Car  Car  Car    119.998
  12    9   19  Car  Car   C3    120.001
  17    9   19  Car  Car   C3    120.001
  14   10   16  Car  Car  Car    120.001
  14   10   20  Car  Car   C3    120.001
  16   10   20  Car  Car   C3    119.998
  15   11   17  Car  Car  Car    120.001
  15   11   21  Car  Car   C3    120.001
  17   11   21  Car  Car   C3    119.999
   2   12    7   Cl  Car  Car    120.001
   2   12    9   Cl  Car  Car    120.001
   7   12    9  Car  Car  Car    119.998
   1   13    6   Cl  Car  Car    120.001
   1   13    8   Cl  Car  Car    119.998
   6   13    8  Car  Car  Car    120.001
   6   14   10  Car  Car  Car    120.001
   6   14   28  Car  Car   HC    120.002
  10   14   28  Car  Car   HC    119.998
   7   15   11  Car  Car  Car    120.001
   7   15   29  Car  Car   HC    119.998
  11   15   29  Car  Car   HC    120.002
   3   16    8  Npl  Car  Car    120.001
   3   16   10  Npl  Car  Car    120.001
   8   16   10  Car  Car  Car    119.998
   4   17    9  Npl  Car  Car    119.998
   4   17   11  Npl  Car  Car    120.001
   9   17   11  Car  Car  Car    120.001
   8   18   22  Car   C3   C3    120.001
   8   18   30  Car   C3   HC     79.995
   8   18   31  Car   C3   HC    160.002
  22   18   30   C3   C3   HC    160.004
  22   18   31   C3   C3   HC     79.997
  30   18   31   HC   C3   HC     80.007
   9   19   23  Car   C3   C3    119.999
   9   19   32  Car   C3   HC     79.999
   9   19   33  Car   C3   HC    159.996
  23   19   32   C3   C3   HC    160.003
  23   19   33   C3   C3   HC     80.006
  32   19   33   HC   C3   HC     79.997
  10   20   24  Car   C3   C3    120.001
  10   20   34  Car   C3   HC    159.996
  10   20   35  Car   C3   HC     79.997
  24   20   34   C3   C3   HC     80.004
  24   20   35   C3   C3   HC    160.002
  34   20   35   HC   C3   HC     79.999
  11   21   25  Car   C3   C3    120.001
  11   21   36  Car   C3   HC    160.003
  11   21   37  Car   C3   HC     80.006
  25   21   36   C3   C3   HC     79.996
  25   21   37   C3   C3   HC    159.993
  36   21   37   HC   C3   HC     79.997
  18   22   41   C3   C3   HC     90.000
  18   22   42   C3   C3   HC    179.974
  18   22   43   C3   C3   HC     90.000
  41   22   42   HC   C3   HC     90.000
  41   22   43   HC   C3   HC    179.974
  42   22   43   HC   C3   HC     90.000
  19   23   38   C3   C3   HC     90.001
  19   23   39   C3   C3   HC    179.974
  19   23   40   C3   C3   HC     89.999
  38   23   39   HC   C3   HC     90.000
  38   23   40   HC   C3   HC    179.974
  39   23   40   HC   C3   HC     90.000
  20   24   44   C3   C3   HC     90.001
  20   24   45   C3   C3   HC    179.974
  20   24   46   C3   C3   HC     89.999
  44   24   45   HC   C3   HC     90.000
  44   24   46   HC   C3   HC    179.974
  45   24   46   HC   C3   HC     90.000
  21   25   47   C3   C3   HC     89.996
  21   25   48   C3   C3   HC    179.974
  21   25   49   C3   C3   HC     90.004
  47   25   48   HC   C3   HC     90.000
  47   25   49   HC   C3   HC    179.974
  48   25   49   HC   C3   HC     90.000


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