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(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine ID: AN-11702
CAS:56-95-1
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1ccc(N/C(=N/C(=N/CCCCCC/N=C(/N=C(/Nc2ccc(Cl)cc2)\N)\N)/N)/N)cc1	9552079
FORMULA: C22H30Cl2N10
MASS: 505.4466
EXACT MASS: 504.2031964
INTERATOMIC DISTANCES

             Cl   1     Cl   2      N   3      N   4      N   5      N   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2   16.0935     0.0000 
   N   3    6.0828    13.0767     0.0000 
   N   4   10.5357     7.2111     6.0828     0.0000 
   N   5    5.5678    14.7987     1.7321     7.8103     0.0000 
   N   6   12.0000     5.5678     7.8102     1.7320     9.5394     0.0000 
   N   7    7.2111    14.1774     1.7320     7.0000     1.7321     8.7177 
   N   8   10.5357     6.0828     7.0000     1.7320     8.7178     1.7320 
   N   9    4.0000    15.5885     3.0000     8.8882     1.7320    10.5830 
   N  10   13.5278     4.0000     9.5394     3.4641    11.2695     1.7321 
   N  11    4.3589    13.8564     1.7320     7.2111     1.7321     8.8881 
   N  12   12.1244     4.3589     8.7178     3.0000    10.4404     1.7321 
   C  13    8.1854     9.6437     3.4641     2.6458     5.1962     4.3589 
   C  14    7.9373    10.5830     2.6458     3.4641     4.3590     5.1961 
   C  15    9.1651     8.8882     4.3589     1.7321     6.0828     3.4641 
   C  16    7.0000    11.3578     1.7321     4.3589     3.4642     6.0827 
   C  17    9.5395     7.9372     5.1962     1.0000     6.9283     2.6457 
   C  18    6.9282    12.2882     1.0000     5.1962     2.6458     6.9282 
   C  19    6.2450    14.0000     1.0000     6.9282     1.0001     8.6602 
   C  20   11.0000     6.2450     6.9282     1.0000     8.6603     1.0000 
   C  21   12.5300     4.5826     8.6603     2.6458    10.3924     1.0001 
   C  22    4.5826    14.7310     2.0000     7.9373     1.0000     9.6437 
   C  23    3.0000    15.6205     3.6056     9.1652     2.6457    10.8166 
   C  24   14.1068     3.0000    10.3923     4.3589    12.1244     2.6458 
   C  25    2.6457    16.5227     4.5826    10.1489     3.4641    11.7898 
   C  26   13.7477     2.6458    10.4403     4.5826    12.1656     3.0000 
   C  27    2.6457    14.7987     3.4641     8.5441     3.0000    10.1489 
   C  28   15.0997     2.6458    11.2694     5.1961    13.0000     3.4641 
   C  29    1.7320    16.6433     5.2915    10.5357     4.3589    12.1243 
   C  30   14.4222     1.7321    11.3578     5.5677    13.0767     4.0000 
   C  31    1.7320    14.9333     4.3589     9.0001     4.0000    10.5357 
   C  32   15.7163     1.7320    12.1244     6.0828    13.8565     4.3590 
   C  33    1.0000    15.8745     5.1962    10.0000     4.5826    11.5326 
   C  34   15.3949     1.0000    12.1656     6.2450    13.8925     4.5826 
   H  35    8.5572    10.2957     3.1512     3.1022     4.8282     4.8211 
   H  36    8.0587    11.0711     2.4059     3.8918     4.0507     5.6148 
   H  37    7.5715     9.9776     3.1022     3.1512     4.8212     4.8281 
   H  38    8.1848     9.1852     3.8917     2.4060     5.6148     4.0507 
   H  39    6.3803    11.7019     1.4156     4.8282     3.1022     6.5339 
   H  40    6.9001    10.9081     2.1829     4.0507     3.8918     5.7469 
   H  41    9.7779     8.6245     4.8282     1.4156     6.5340     3.1021 
   H  42    9.1958     9.3908     4.0507     2.1829     5.7470     3.8917 
   H  43    7.5396    11.9842     1.5968     4.8211     3.1513     6.5469 
   H  44    7.1640    12.7651     1.0813     5.6148     2.4060     7.3421 
   H  45    8.9413     8.2567     4.8211     1.5968     6.5470     3.1512 
   H  46    9.6111     7.4664     5.6148     1.0813     7.3422     2.4059 
   H  47    7.6540    13.7246     1.8397     6.5242     2.2901     8.2283 
   H  48    7.4070    14.7691     2.2901     7.5793     1.8397     9.2900 
   H  49    9.9179     6.6018     6.5242     1.8397     8.2283     2.2900 
   H  50   10.9006     5.5286     7.5792     2.2900     9.2900     1.8397 
   H  51    4.3433    16.1284     3.3533     9.3512     1.8396    11.0591 
   H  52   13.8140     4.3433     9.5919     3.5191    11.3140     1.8397 
   H  53   13.1395     3.1408     9.9421     4.2029    11.6613     2.7431 
   H  54    3.1407    17.0330     4.8212    10.5567     3.5191    12.2190 
   H  55   15.3566     3.1408    11.3139     5.2330    13.0386     3.5191 
   H  56    3.1408    14.2353     2.9435     7.9275     2.7431     9.5385 
   H  57    1.8396    17.2222     5.8808    11.1537     4.8707    12.7382 
   H  58   14.2627     1.8397    11.4562     5.8193    13.1623     4.3433 
   H  59    1.8397    14.4611     4.4726     8.7066     4.3433    10.1953 
   H  60   16.3281     1.8397    12.6651     6.6018    14.3967     4.8708 
   H  61    4.8708    13.3231     1.2347     6.6110     1.8397     8.2972 
   H  62    3.7980    13.8703     2.2901     7.4070     2.2901     9.0478 
   H  63   12.5174     3.7980     9.2900     3.6200    11.0075     2.2901 
   H  64   11.5111     4.8708     8.2283     2.7430     9.9421     1.8397 

              N   7      N   8      N   9      N  10      N  11      N  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    8.1853     0.0000 
   N   9    3.4641     9.5394     0.0000 
   N  10   10.4403     3.0000    12.2882     0.0000 
   N  11    3.0000     7.8102     1.7321    10.5830     0.0000 
   N  12    9.8489     1.7321    11.2695     1.7320     9.5394     0.0000 
   C  13    4.5826     3.6055     6.2450     6.0828     4.5826     5.2915 
   C  14    3.6055     4.5826     5.5678     6.9282     4.0000     6.2450 
   C  15    5.2915     3.0000     7.2111     5.1962     5.5677     4.5826 
   C  16    3.0000     5.2915     4.5826     7.8102     3.0000     7.0000 
   C  17    6.2450     2.0000     7.9373     4.3589     6.2450     3.6055 
   C  18    2.0000     6.2450     4.0000     8.6603     2.6457     7.9373 
   C  19    1.0000     7.9372     2.6458    10.3923     2.0000     9.6437 
   C  20    7.9372     1.0000     9.6437     2.6458     7.9372     2.0000 
   C  21    9.6437     2.0000    11.3579     1.0000     9.6437     1.0000 
   C  22    2.6458     8.6603     1.0000    11.3579     1.0001    10.3924 
   C  23    4.3589     9.6437     1.0000    12.4900     2.0000    11.3579 
   C  24   11.3578     3.6055    13.0767     1.0000    11.3578     2.0000 
   C  25    5.1962    10.5830     1.7320    13.4536     3.0000    12.2882 
   C  26   11.5325     3.4641    13.0000     1.7320    11.2694     1.7320 
   C  27    4.5826     8.8882     1.7320    11.7899     1.7321    10.5831 
   C  28   12.1655     4.5826    14.0000     1.7320    12.2882     2.9999 
   C  29    6.0828    10.8166     2.6457    13.7477     3.6056    12.4900 
   C  30   12.4899     4.3589    13.8564     2.6457    12.1243     2.6457 
   C  31    5.5678     9.1652     2.6457    12.1244     2.6458    10.8167 
   C  32   13.0767     5.2915    14.7987     2.6458    13.0767     3.6055 
   C  33    6.2450    10.1489     3.0000    13.1149     3.4641    11.7899 
   C  34   13.2288     5.1962    14.7310     3.0000    13.0000     3.4641 
   H  35    3.8981     4.3998     6.1177     6.5470     4.5875     5.9982 
   H  36    3.1101     5.1246     5.3984     7.3422     3.9399     6.7559 
   H  37    4.3998     3.8981     5.7557     6.5339     4.0630     5.6193 
   H  38    5.1245     3.1102     6.5415     5.7470     4.8384     4.8263 
   H  39    2.9561     5.6193     4.0630     8.2506     2.4266     7.3456 
   H  40    3.5889     4.8262     4.8385     7.4597     3.1671     6.5508 
   H  41    5.6193     2.9561     7.7335     4.8211     6.1177     4.3998 
   H  42    4.8262     3.5889     6.9830     5.6148     5.3984     5.1246 
   H  43    2.1943     5.9981     4.5876     8.2753     3.2657     7.6549 
   H  44    1.4331     6.7558     3.9400     9.0712     2.8114     8.4275 
   H  45    5.9981     2.1943     7.4664     4.8282     5.7556     3.8982 
   H  46    6.7558     1.4331     8.2567     4.0507     6.5415     3.1102 
   H  47    0.6200     7.7823     4.0130     9.9421     3.3533     9.4184 
   H  48    0.6201     8.7923     3.5191    11.0075     3.3533    10.4483 
   H  49    7.7823     0.6200     8.9914     3.6200     7.2598     2.2901 
   H  50    8.7922     0.6200    10.0650     2.7431     8.3333     1.2347 
   H  51    3.5192    10.0650     0.6200    12.7736     2.2901    11.7968 
   H  52   10.3992     3.3533    12.4043     0.6200    10.7175     2.2901 
   H  53   11.0835     2.9436    12.4549     1.8397    10.7231     1.2347 
   H  54    5.2330    11.0591     1.8396    13.8983     3.3533    12.7736 
   H  55   12.1303     4.8212    14.1019     1.8396    12.4042     3.3532 
   H  56    4.2029     8.2972     1.8397    11.1859     1.2347     9.9993 
   H  57    6.6018    11.4194     3.1407    14.3570     4.2100    13.0868 
   H  58   12.6532     4.4726    13.8703     3.1407    12.1401     2.8291 
   H  59    5.8193     8.7718     3.1408    11.7509     2.8292    10.3964 
   H  60   13.5795     5.8809    15.3664     3.1408    13.6479     4.2100 
   H  61    2.7431     7.2598     2.2901     9.9993     0.6200     8.9914 
   H  62    3.6200     7.8743     1.8397    10.7175     0.6200     9.5919 
   H  63   10.4482     2.2901    11.7968     1.8397    10.0650     0.6200 
   H  64    9.4183     1.2347    10.7231     2.2901     8.9913     0.6201 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    1.0000     1.7320     0.0000 
   C  16    1.7320     1.0000     2.6457     0.0000 
   C  17    1.7321     2.6458     1.0001     3.4641     0.0000 
   C  18    2.6458     1.7321     3.4641     1.0001     4.3590     0.0000 
   C  19    4.3589     3.4641     5.1961     2.6458     6.0828     1.7320 
   C  20    3.4641     4.3589     2.6458     5.1961     1.7320     6.0828 
   C  21    5.1962     6.0828     4.3590     6.9282     3.4641     7.8103 
   C  22    5.2915     4.5826     6.2450     3.6056     7.0001     3.0000 
   C  23    6.5575     6.0000     7.5498     5.0001     8.1854     4.5826 
   C  24    6.9282     7.8102     6.0828     8.6602     5.1961     9.5394 
   C  25    7.5498     7.0000     8.5440     6.0000     9.1652     5.5677 
   C  26    7.0000     7.9372     6.2450     8.7177     5.2915     9.6437 
   C  27    6.0000     5.5678     7.0000     4.5827     7.5499     4.3589 
   C  28    7.8102     8.6602     6.9282     9.5393     6.0827    10.3923 
   C  29    8.0000     7.5499     9.0000     6.5575     9.5394     6.2450 
   C  30    7.9372     8.8881     7.2111     9.6436     6.2449    10.5830 
   C  31    6.5575     6.2450     7.5499     5.2916     8.0001     5.1962 
   C  32    8.6603     9.5394     7.8103    10.3923     6.9282    11.2695 
   C  33    7.5499     7.2111     8.5440     6.2450     9.0001     6.0828 
   C  34    8.7178     9.6437     7.9373    10.4403     7.0000    11.3579 
   H  35    1.0813     0.6200     1.4156     1.5967     2.4060     2.1829 
   H  36    1.5968     0.6201     2.1829     1.0812     3.1513     1.4156 
   H  37    0.6200     1.0813     1.5967     1.4156     2.1829     2.4060 
   H  38    0.6200     1.5967     1.0813     2.1828     1.4157     3.1512 
   H  39    2.1829     1.5968     3.1512     0.6201     3.8918     1.0813 
   H  40    1.4156     1.0813     2.4059     0.6200     3.1022     1.5968 
   H  41    1.5968     2.1829     0.6201     3.1512     1.0813     3.8918 
   H  42    1.0813     1.4156     0.6200     2.4059     1.5968     3.1022 
   H  43    2.4059     1.4156     3.1021     1.0813     4.0507     0.6201 
   H  44    3.1512     2.1829     3.8917     1.5968     4.8282     0.6200 
   H  45    1.4156     2.4059     1.0813     3.1021     0.6201     4.0507 
   H  46    2.1829     3.1512     1.5968     3.8917     0.6200     4.8282 
   H  47    4.2029     3.2070     4.8399     2.7431     5.8142     1.7732 
   H  48    5.1928     4.2101     5.8809     3.6201     6.8429     2.6200 
   H  49    3.2070     4.2029     2.7431     4.8399     1.7732     5.8142 
   H  50    4.2100     5.1927     3.6200     5.8808     2.6199     6.8428 
   H  51    6.7055     5.9770     7.6540     5.0105     8.4158     4.3433 
   H  52    6.1648     6.9559     5.2331     7.8743     4.4726     8.6825 
   H  53    6.5242     7.4796     5.8142     8.2283     4.8399     9.1698 
   H  54    7.9350     7.3297     8.9209     6.3328     9.5825     5.8193 
   H  55    7.8743     8.6824     6.9559     9.5918     6.1647    10.4108 
   H  56    5.3800     4.9563     6.3800     3.9755     6.9343     3.7979 
   H  57    8.6200     8.1660     9.6199     7.1725    10.1570     6.8428 
   H  58    8.0774     9.0478     7.4070     9.7592     6.4221    10.7175 
   H  59    6.3470     6.1257     7.3256     5.2100     7.7087     5.2330 
   H  60    9.2024    10.0650     8.3334    10.9336     7.4715    11.7968 
   H  61    3.9755     3.3800     4.9562     2.3801     5.6520     2.0699 
   H  62    4.8212     4.3433     5.8193     3.3533     6.4222     3.1407 
   H  63    5.8809     6.8428     5.1928     7.5792     4.2100     8.5255 
   H  64    4.8399     5.8141     4.2029     6.5241     3.2069     7.4796 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    7.8102     0.0000 
   C  21    9.5394     1.7321     0.0000 
   C  22    1.7321     8.7178    10.4404     0.0000 
   C  23    3.4641     9.8489    11.5326     1.7320     0.0000 
   C  24   11.2694     3.4641     1.7320    12.1656    13.2288     0.0000 
   C  25    4.3589    10.8166    12.4900     2.6457     1.0000    14.1774 
   C  26   11.3578     3.6055     2.0000    12.1244    13.0767     1.0000 
   C  27    3.6056     9.1652    10.8167     2.0000     1.0000    12.4900 
   C  28   12.1243     4.3589     2.6457    13.0767    14.1774     1.0000 
   C  29    5.1962    11.1355    12.7672     3.4641     1.7320    14.4222 
   C  30   12.2882     4.5826     2.9999    13.0000    13.8924     1.7320 
   C  31    4.5826     9.5394    11.1356     3.0000     1.7320    12.7672 
   C  32   13.0000     5.1962     3.4641    13.8925    14.9333     1.7321 
   C  33    5.2915    10.5357    12.1244     3.6055     2.0000    13.7477 
   C  34   13.0767     5.2915     3.6055    13.8565    14.7987     2.0000 
   H  35    3.8917     4.0507     5.7470     5.1246     6.5861     7.4597 
   H  36    3.1021     4.8282     6.5340     4.3998     5.9239     8.2506 
   H  37    4.0507     3.8917     5.6148     4.8263     6.0148     7.3421 
   H  38    4.8281     3.1022     4.8212     5.6193     6.7706     6.5470 
   H  39    2.4059     5.6148     7.3422     3.1102     4.4225     9.0712 
   H  40    3.1512     4.8211     6.5470     3.8982     5.1440     8.2753 
   H  41    5.6148     2.4059     4.0507     6.7559     8.1091     5.7469 
   H  42    4.8211     3.1512     4.8282     5.9982     7.3968     6.5339 
   H  43    2.1829     5.7469     7.4597     3.5890     5.1958     9.1796 
   H  44    1.4156     6.5339     8.2506     2.9562     4.6340     9.9726 
   H  45    5.7469     2.1829     3.8918     6.5508     7.6679     5.6148 
   H  46    6.5339     1.4156     3.1022     7.3456     8.4393     4.8211 
   H  47    1.4158     7.4796     9.1698     3.1408     4.8708    10.8731 
   H  48    1.4158     8.5255    10.2248     2.8292     4.4726    11.9334 
   H  49    7.4796     1.4158     2.6200     8.1293     9.0678     4.2100 
   H  50    8.5255     1.4158     1.7733     9.2024    10.1333     3.2070 
   H  51    2.8292    10.1333    11.8552     1.4157     1.4158    13.5795 
   H  52   10.4108     2.8292     1.4158    11.4563    12.6533     1.4158 
   H  53   10.8731     3.2070     1.7732    11.5916    12.5102     1.4158 
   H  54    4.4726    11.2554    12.9439     2.8291     1.4157    14.6425 
   H  55   12.1401     4.4726     2.8291    13.1623    14.3215     1.4158 
   H  56    3.2069     8.5571    10.2159     1.7733     1.4158    11.8955 
   H  57    5.7415    11.7483    13.3748     4.0130     2.2900    15.0248 
   H  58   12.4042     4.8212     3.3532    13.0386    13.8616     2.2901 
   H  59    4.8212     9.1959    10.7566     3.3533     2.2901    12.3630 
   H  60   13.5286     5.7415     4.0130    14.4529    15.5160     2.2901 
   H  61    1.7732     7.3542     9.0678     1.4158     2.6200    10.7872 
   H  62    2.6200     8.0774     9.7593     1.4158     1.7733    11.4562 
   H  63   10.2247     2.6200     1.4158    10.9337    11.8552     1.7732 
   H  64    9.1697     1.7732     1.4158     9.8603    10.7872     2.6200 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26   14.0000     0.0000 
   C  27    1.7320    12.2882     0.0000 
   C  28   15.1327     1.7320    13.4536     0.0000 
   C  29    1.0000    14.1774     2.0000    15.3948     0.0000 
   C  30   14.7986     1.0000    13.0767     2.0000    14.9332     0.0000 
   C  31    2.0000    12.4900     1.0000    13.7477     1.7320    13.2288 
   C  32   15.8745     2.0000    14.1775     1.0001    16.0935     1.7321 
   C  33    1.7320    13.4536     1.7320    14.7309     1.0000    14.1774 
   C  34   15.7163     1.7321    14.0001     1.7321    15.8745     1.0001 
   H  35    7.5856     7.6549     6.1775     8.2753     8.1542     8.6245 
   H  36    6.9193     8.4275     5.5909     9.0712     7.5384     9.3908 
   H  37    7.0009     7.3455     5.4216     8.2505     7.4204     8.2566 
   H  38    7.7496     6.5508     6.1381     7.4597     8.1306     7.4664 
   H  39    5.4215     9.0740     3.9716     9.9726     5.9534     9.9776 
   H  40    6.1381     8.2784     4.6148     9.1796     6.6126     9.1851 
   H  41    9.1062     5.9981     7.5857     6.5469     9.5850     6.9829 
   H  42    8.3962     6.7558     6.9194     7.3421     8.9133     7.7334 
   H  43    6.1775     9.3389     4.9780    10.0050     6.8638    10.2956 
   H  44    5.5909    10.1194     4.5430    10.8012     6.3410    11.0710 
   H  45    8.6389     5.6193     7.0009     6.5339     8.9823     6.5415 
   H  46    9.4041     4.8262     7.7497     5.7469     9.7205     5.7556 
   H  47    5.7415    11.0835     5.0104    11.6612     6.6018    12.0509 
   H  48    5.2330    12.1254     4.8212    12.7289     6.1648    13.0868 
   H  49    9.9993     4.0130     8.2973     5.1927    10.2159     4.8707 
   H  50   11.0591     2.9436     9.3512     4.2029    11.2554     3.7980 
   H  51    1.8397    13.5286     2.2900    14.4922     2.8292    14.3966 
   H  52   13.6281     2.2901    11.9886     1.8396    13.9630     3.1407 
   H  53   13.4263     0.6200    11.7101     2.2900    13.5884     1.4157 
   H  54    0.6200    14.4922     2.2900    15.5892     1.4158    15.3056 
   H  55   15.2880     2.2901    13.6281     0.6200    15.5873     2.6200 
   H  56    2.2901    11.7100     0.6201    12.8555     2.6200    12.5101 
   H  57    1.4158    14.7690     2.6199    15.9994     0.6200    15.5159 
   H  58   14.7487     1.4158    13.0202     2.6200    14.8419     0.6200 
   H  59    2.6200    12.0509     1.4158    13.3500     2.2901    12.7665 
   H  60   16.4616     2.6200    14.7691     1.4158    16.6915     2.2901 
   H  61    3.6200    10.7231     2.2901    11.7100     4.2100    11.5915 
   H  62    2.7431    11.3139     1.2347    12.4042     3.2069    12.1401 
   H  63   12.7736     1.2347    11.0592     2.7430    12.9439     2.0698 
   H  64   11.7100     2.2901     9.9993     3.6200    11.8955     3.1408 

              C  31      C  32      C  33      C  34      H  35      H  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32   14.4223     0.0000 
   C  33    1.0000    15.3949     0.0000 
   C  34   14.1775     1.0000    15.1328     0.0000 
   H  35    6.8638     9.1797     7.8279     9.3390     0.0000 
   H  36    6.3410     9.9727     7.2796    10.1195     0.7971     0.0000 
   H  37    5.9534     9.0712     6.9482     9.0740     1.4516     1.6890 
   H  38    6.6126     8.2754     7.6119     8.2785     1.6889     2.2064 
   H  39    4.6716    10.8013     5.6266    10.8037     2.2064     1.6889 
   H  40    5.2293    10.0051     6.2098    10.0076     1.6889     1.4516 
   H  41    8.1543     7.4597     9.1465     7.6549     1.7321     2.5292 
   H  42    7.5384     8.2506     8.5213     8.4275     0.9350     1.7321 
   H  43    5.8078    10.9035     6.7005    11.0379     1.7320     0.9349 
   H  44    5.4396    11.6976     6.2748    11.8230     2.5291     1.7320 
   H  45    7.4204     7.3422     8.4200     7.3456     2.3122     2.9753 
   H  46    8.1307     6.5470     9.1281     6.5508     2.9753     3.6919 
   H  47    5.9770    12.5843     6.7056    12.7666     3.4289     2.6629 
   H  48    5.8193    13.6480     6.4222    13.8162     4.4781     3.6980 
   H  49    8.5572     5.8809     9.5386     5.7415     4.0921     4.7741 
   H  50    9.5825     4.8400    10.5567     4.6696     5.0188     5.7400 
   H  51    3.1407    15.3057     3.3533    15.2606     6.5026     5.7571 
   H  52   12.3679     2.8292    13.3636     3.3533     6.5313     7.3282 
   H  53   11.8956     2.6200    12.8556     2.2901     7.2294     7.9896 
   H  54    2.6199    16.3482     2.2900    16.2137     7.8993     7.2027 
   H  55   13.9630     1.4158    14.9527     2.2901     8.2630     9.0600 
   H  56    1.4158    13.5884     2.2901    13.4263     5.5680     4.9956 
   H  57    2.2900    16.6915     1.4157    16.4616     8.7691     8.1472 
   H  58   13.1257     2.2901    14.0593     1.4158     8.8224     9.5729 
   H  59    0.6201    13.9995     1.4158    13.7246     6.7455     6.2813 
   H  60   15.0248     0.6200    15.9995     1.4158     9.6876    10.4829 
   H  61    3.1408    12.5102     4.0130    12.4549     3.9683     3.3288 
   H  62    2.0699    13.1623     2.9436    13.0386     4.9496     4.3562 
   H  63   11.2555     3.2070    12.2191     2.9436     6.6082     7.3613 
   H  64   10.2159     4.2101    11.1859     4.0131     5.6129     6.3492 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.7970     0.0000 
   H  39    1.7321     2.5291     0.0000 
   H  40    0.9350     1.7320     0.7971     0.0000 
   H  41    2.2064     1.6890     3.6919     2.9753     0.0000 
   H  42    1.6889     1.4516     2.9753     2.3122     0.7971     0.0000 
   H  43    2.3122     2.9752     1.4516     1.6889     3.4641     2.6670 
   H  44    2.9753     3.6918     1.6889     2.2064     4.2612     3.4641 
   H  45    1.7320     0.9350     3.4641     2.6670     1.4516     1.6889 
   H  46    2.5291     1.7321     4.2612     3.4641     1.6889     2.2064 
   H  47    4.0921     4.7741     2.8259     3.3573     5.1263     4.3417 
   H  48    5.0189     5.7400     3.5651     4.2080     6.1883     5.3996 
   H  49    3.4289     2.6630     5.1263     4.3417     2.8259     3.3573 
   H  50    4.4780     3.6980     6.1882     5.3995     3.5650     4.2080 
   H  51    6.2417     7.0340     4.5253     5.3139     8.1563     7.3908 
   H  52    6.6547     5.8840     8.3466     7.5657     4.7998     5.5966 
   H  53    6.8410     6.0507     8.5627     7.7698     5.6129     6.3492 
   H  54    7.4056     8.1696     5.7761     6.5194     9.4678     8.7383 
   H  55    8.3465     7.5657    10.0521     9.2660     6.5312     7.3281 
   H  56    4.8021     5.5215     3.3616     3.9958     6.9659     6.3020 
   H  57    8.0402     8.7489     6.5699     7.2321    10.2048     9.5319 
   H  58    8.3562     7.5764    10.0602     9.2747     7.2260     7.9536 
   H  59    5.7324     6.3472     4.5936     5.0762     7.9387     7.3630 
   H  60    9.6278     8.8336    11.3550    10.5599     7.9604     8.7550 
   H  61    3.4692     4.2522     1.8098     2.5615     5.5017     4.7792 
   H  62    4.2619     5.0066     2.7466     3.4184     6.3937     5.7093 
   H  63    6.1882     5.3996     7.9079     7.1158     5.0188     5.7400 
   H  64    5.1262     4.3417     6.8410     6.0506     4.0920     4.7741 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.7971     0.0000 
   H  45    3.8190     4.5664     0.0000 
   H  46    4.5664     5.3283     0.7971     0.0000 
   H  47    1.7992     1.1540     5.6129     6.3492     0.0000 
   H  48    2.7952     2.0484     6.6082     7.3613     1.0739     0.0000 
   H  49    5.6129     6.3492     1.7992     1.1540     7.4093     8.3956 
   H  50    6.6081     7.3612     2.7951     2.0483     8.3955     9.4009 
   H  51    4.9034     4.2030     7.9648     8.7589     4.1077     3.4641 
   H  52    8.2630     9.0600     4.9905     4.2428     9.8795    10.9511 
   H  53    8.8895     9.6620     5.1263     4.3417    10.6517    11.6827 
   H  54    6.4155     5.7792     9.0731     9.8480     5.8080     5.1961 
   H  55    9.9948    10.7918     6.6547     5.8839    11.6079    12.6801 
   H  56    4.4139     4.0245     6.3889     7.1420     4.5826     4.5048 
   H  57    7.4604     6.9209     9.5981    10.3337     7.1370     6.6486 
   H  58   10.4620    11.2259     6.6668     5.8977    12.2357    13.2572 
   H  59    5.8294     5.5403     7.1148     7.7980     6.1810     6.1235 
   H  60   11.4161    12.2119     7.9028     7.1101    13.0767    14.1441 
   H  61    2.6883     2.3069     5.1763     5.9668     3.0000     3.1864 
   H  62    3.7575     3.3701     5.8977     6.6668     3.9665     3.9665 
   H  63    8.2551     9.0238     4.4781     3.6980    10.0242    11.0498 
   H  64    7.2293     7.9895     3.4289     2.6629     9.0099    10.0242 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    1.0738     0.0000 
   H  51    9.5271    10.6008     0.0000 
   H  52    3.9665     3.1864    12.8703     0.0000 
   H  53    3.4641     2.3903    12.9910     2.4522     0.0000 
   H  54   10.4835    11.5488     1.7320    14.0536    13.9249     0.0000 
   H  55    5.4399     4.5048    14.5775     1.7320     2.8059    15.7278 
   H  56    7.7109     8.7695     2.4522    11.3782    11.1363     2.8059 
   H  57   10.8166    11.8521     3.2380    14.5764    14.1774     1.6200 
   H  58    4.9339     3.8787    14.4233     3.6739     1.6199    15.2699 
   H  59    8.1580     9.1651     3.6739    12.0180    11.4505     3.2400 
   H  60    6.4759     5.4429    15.8674     3.2380     3.2400    16.9302 
   H  61    6.7215     7.7951     2.8059    10.1225    10.1852     3.9665 
   H  62    7.3024     8.3704     2.4522    10.8857    10.7520     3.1864 
   H  63    2.8059     1.7321    12.3328     2.4522     0.6582    13.2702 
   H  64    1.7320     0.6582    11.2589     2.8059     1.7321    12.2026 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56   13.0232     0.0000 
   H  57   16.1966     3.2400     0.0000 
   H  58    3.2400    12.4664    15.4157     0.0000 
   H  59   13.5857     1.6200     2.8059    12.6445     0.0000 
   H  60    1.6200    14.1774    17.2909     2.8059    14.6063     0.0000 
   H  61   11.8154     1.7320     4.8184    11.6247     3.2380    13.0767 
   H  62   12.5498     0.6582     3.8242    12.1243     2.2146    13.7438 
   H  63    3.1864    10.4835    13.5349     2.2146    10.8166     3.8242 
   H  64    3.9665     9.4200    12.4899     3.2380     9.7894     4.8185 

              H  61      H  62      H  63      H  64
              --------------------------------------------
   H  61    0.0000 
   H  62    1.0739     0.0000 
   H  63    9.5271    10.0957     0.0000 
   H  64    8.4533     9.0257     1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0835386882
  Cl   2   -0.0835386882
   N   3   -0.1104343649
   N   4   -0.1104343649
   N   5   -0.0032570523
   N   6   -0.0032570523
   N   7   -0.2860005490
   N   8   -0.2860005490
   N   9   -0.2431922700
   N  10   -0.2431922700
   N  11   -0.2883110358
   N  12   -0.2883110358
   C  13   -0.0499798579
   C  14   -0.0499798579
   C  15   -0.0186365019
   C  16   -0.0186365019
   C  17    0.1048086614
   C  18    0.1048086614
   C  19    0.4248619010
   C  20    0.4248619010
   C  21    0.3943675949
   C  22    0.3943675949
   C  23    0.1000507102
   C  24    0.1000507102
   C  25   -0.0218157808
   C  26   -0.0218157808
   C  27   -0.0218157808
   C  28   -0.0218157808
   C  29   -0.0401398919
   C  30   -0.0401398919
   C  31   -0.0401398919
   C  32   -0.0401398919
   C  33    0.0411891273
   C  34    0.0411891273
   H  35    0.0266298947
   H  36    0.0266298947
   H  37    0.0266298947
   H  38    0.0266298947
   H  39    0.0296810080
   H  40    0.0296810080
   H  41    0.0296810080
   H  42    0.0296810080
   H  43    0.0692822991
   H  44    0.0692822991
   H  45    0.0692822991
   H  46    0.0692822991
   H  47    0.2547657304
   H  48    0.2547657304
   H  49    0.2547657304
   H  50    0.2547657304
   H  51    0.2648229336
   H  52    0.2648229336
   H  53    0.0652304715
   H  54    0.0652304715
   H  55    0.0652304715
   H  56    0.0652304715
   H  57    0.0633141497
   H  58    0.0633141497
   H  59    0.0633141497
   H  60    0.0633141497
   H  61    0.2546768150
   H  62    0.2546768150
   H  63    0.2546768150
   H  64    0.2546768150


BOND ANGLES
  18    3   19   C3  Ng+   C+    119.999
  17    4   20   C3  Ng+   C+    119.999
  19    5   22   C+  Ng+   C+    119.998
  20    6   21   C+  Ng+   C+    120.001
  19    7   47   C+  Ng+   HC    120.002
  19    7   48   C+  Ng+   HC    119.997
  47    7   48   HC  Ng+   HC    120.001
  20    8   49   C+  Ng+   HC    120.002
  20    8   50   C+  Ng+   HC    120.002
  49    8   50   HC  Ng+   HC    119.997
  22    9   23   C+  Ng+  Car    120.001
  22    9   51   C+  Ng+   HC    119.998
  23    9   51  Car  Ng+   HC    120.002
  21   10   24   C+  Ng+  Car    119.999
  21   10   52   C+  Ng+   HC    120.001
  24   10   52  Car  Ng+   HC    120.001
  22   11   61   C+  Ng+   HC    120.000
  22   11   62   C+  Ng+   HC    119.998
  61   11   62   HC  Ng+   HC    120.002
  21   12   63   C+  Ng+   HC    120.002
  21   12   64   C+  Ng+   HC    119.997
  63   12   64   HC  Ng+   HC    120.001
  14   13   15   C3   C3   C3    119.999
  14   13   37   C3   C3   HC     80.006
  14   13   38   C3   C3   HC    159.996
  15   13   37   C3   C3   HC    159.996
  15   13   38   C3   C3   HC     80.006
  37   13   38   HC   C3   HC     79.990
  13   14   16   C3   C3   C3    119.999
  13   14   35   C3   C3   HC     80.006
  13   14   36   C3   C3   HC    160.003
  16   14   35   C3   C3   HC    159.996
  16   14   36   C3   C3   HC     79.999
  35   14   36   HC   C3   HC     79.997
  13   15   17   C3   C3   C3    120.001
  13   15   41   C3   C3   HC    160.003
  13   15   42   C3   C3   HC     80.006
  17   15   41   C3   C3   HC     79.996
  17   15   42   C3   C3   HC    159.993
  41   15   42   HC   C3   HC     79.997
  14   16   18   C3   C3   C3    120.001
  14   16   39   C3   C3   HC    160.003
  14   16   40   C3   C3   HC     80.006
  18   16   39   C3   C3   HC     79.996
  18   16   40   C3   C3   HC    159.993
  39   16   40   HC   C3   HC     79.997
   4   17   15  Ng+   C3   C3    120.001
   4   17   45  Ng+   C3   HC    160.003
   4   17   46  Ng+   C3   HC     80.006
  15   17   45   C3   C3   HC     79.996
  15   17   46   C3   C3   HC    159.993
  45   17   46   HC   C3   HC     79.997
   3   18   16  Ng+   C3   C3    120.001
   3   18   43  Ng+   C3   HC    160.003
   3   18   44  Ng+   C3   HC     80.006
  16   18   43   C3   C3   HC     79.996
  16   18   44   C3   C3   HC    159.993
  43   18   44   HC   C3   HC     79.997
   3   19    5  Ng+   C+  Ng+    120.001
   3   19    7  Ng+   C+  Ng+    120.001
   5   19    7  Ng+   C+  Ng+    119.998
   4   20    6  Ng+   C+  Ng+    119.999
   4   20    8  Ng+   C+  Ng+    120.001
   6   20    8  Ng+   C+  Ng+    120.001
   6   21   10  Ng+   C+  Ng+    120.001
   6   21   12  Ng+   C+  Ng+    119.998
  10   21   12  Ng+   C+  Ng+    120.001
   5   22    9  Ng+   C+  Ng+    120.001
   5   22   11  Ng+   C+  Ng+    119.998
   9   22   11  Ng+   C+  Ng+    120.001
   9   23   25  Ng+  Car  Car    120.001
   9   23   27  Ng+  Car  Car    120.001
  25   23   27  Car  Car  Car    119.999
  10   24   26  Ng+  Car  Car    120.001
  10   24   28  Ng+  Car  Car    119.999
  26   24   28  Car  Car  Car    120.001
  23   25   29  Car  Car  Car    120.001
  23   25   54  Car  Car   HC    119.998
  29   25   54  Car  Car   HC    120.002
  24   26   30  Car  Car  Car    120.001
  24   26   53  Car  Car   HC    120.002
  30   26   53  Car  Car   HC    119.998
  23   27   31  Car  Car  Car    120.001
  23   27   56  Car  Car   HC    120.002
  31   27   56  Car  Car   HC    119.997
  24   28   32  Car  Car  Car    120.001
  24   28   55  Car  Car   HC    120.001
  32   28   55  Car  Car   HC    119.998
  25   29   33  Car  Car  Car    120.001
  25   29   57  Car  Car   HC    120.002
  33   29   57  Car  Car   HC    119.998
  26   30   34  Car  Car  Car    120.001
  26   30   58  Car  Car   HC    120.001
  34   30   58  Car  Car   HC    119.998
  27   31   33  Car  Car  Car    120.001
  27   31   59  Car  Car   HC    119.997
  33   31   59  Car  Car   HC    120.002
  28   32   34  Car  Car  Car    119.998
  28   32   60  Car  Car   HC    120.000
  34   32   60  Car  Car   HC    120.002
   1   33   29   Cl  Car  Car    120.001
   1   33   31   Cl  Car  Car    120.001
  29   33   31  Car  Car  Car    119.999
   2   34   30   Cl  Car  Car    120.001
   2   34   32   Cl  Car  Car    120.001
  30   34   32  Car  Car  Car    119.998


TORSION ANGLES
  19    3   18   16    179.974
  19    3   18   43      0.026
  19    3   18   44      0.026
  18    3   19    5    179.974
  18    3   19    7      0.026
  20    4   17   15    179.974
  20    4   17   45      0.026
  20    4   17   46      0.026
  17    4   20    6    179.974
  17    4   20    8      0.026
  22    5   19    3      0.026
  22    5   19    7    179.974
  19    5   22    9    179.974
  19    5   22   11      0.026
  21    6   20    4    179.974
  21    6   20    8      0.026
  20    6   21   10    179.974
  20    6   21   12      0.026
  47    7   19    3      0.026
  47    7   19    5    179.974
  48    7   19    3    179.974
  48    7   19    5      0.026
  49    8   20    4      0.026
  49    8   20    6    179.974
  50    8   20    4    179.974
  50    8   20    6      0.026
  23    9   22    5    179.974
  23    9   22   11      0.026
  51    9   22    5      0.026
  51    9   22   11    179.974
  22    9   23   25    179.974
  22    9   23   27      0.026
  51    9   23   25      0.026
  51    9   23   27    179.974
  24   10   21    6    179.974
  24   10   21   12      0.026
  52   10   21    6      0.026
  52   10   21   12    179.974
  21   10   24   26      0.026
  21   10   24   28    179.974
  52   10   24   26    179.974
  52   10   24   28      0.026
  61   11   22    5      0.026
  61   11   22    9    179.974
  62   11   22    5    179.974
  62   11   22    9      0.026
  63   12   21    6    179.974
  63   12   21   10      0.026
  64   12   21    6      0.026
  64   12   21   10    179.974
  15   13   14   16    179.974
  15   13   14   35      0.026
  15   13   14   36      0.026
  37   13   14   16      0.026
  37   13   14   35    179.974
  37   13   14   36    179.974
  38   13   14   16      0.026
  38   13   14   35    179.974
  38   13   14   36    179.974
  14   13   15   17    179.974
  14   13   15   41      0.026
  14   13   15   42      0.026
  37   13   15   17      0.026
  37   13   15   41    179.974
  37   13   15   42    179.974
  38   13   15   17      0.026
  38   13   15   41    179.974
  38   13   15   42    179.974
  13   14   16   18    179.974
  13   14   16   39      0.026
  13   14   16   40      0.026
  35   14   16   18      0.026
  35   14   16   39    179.974
  35   14   16   40    179.974
  36   14   16   18      0.026
  36   14   16   39    179.974
  36   14   16   40    179.974
  13   15   17    4    179.974
  13   15   17   45      0.026
  13   15   17   46      0.026
  41   15   17    4      0.026
  41   15   17   45    179.974
  41   15   17   46    179.974
  42   15   17    4      0.026
  42   15   17   45    179.974
  42   15   17   46    179.974
  14   16   18    3    179.974
  14   16   18   43      0.026
  14   16   18   44      0.026
  39   16   18    3      0.026
  39   16   18   43    179.974
  39   16   18   44    179.974
  40   16   18    3      0.026
  40   16   18   43    179.974
  40   16   18   44    179.974
   9   23   25   29    179.974
   9   23   25   54      0.026
  27   23   25   29      0.026
  27   23   25   54    179.974
   9   23   27   31    179.974
   9   23   27   56      0.026
  25   23   27   31      0.026
  25   23   27   56    179.974
  10   24   26   30    179.974
  10   24   26   53      0.026
  28   24   26   30      0.026
  28   24   26   53    179.974
  10   24   28   32    179.974
  10   24   28   55      0.026
  26   24   28   32      0.026
  26   24   28   55    179.974
  23   25   29   33      0.026
  23   25   29   57    179.974
  54   25   29   33    179.974
  54   25   29   57      0.026
  24   26   30   34      0.026
  24   26   30   58    179.974
  53   26   30   34    179.974
  53   26   30   58      0.026
  23   27   31   33      0.026
  23   27   31   59    179.974
  56   27   31   33    179.974
  56   27   31   59      0.026
  24   28   32   34      0.026
  24   28   32   60    179.974
  55   28   32   34    179.974
  55   28   32   60      0.026
  25   29   33    1    179.974
  25   29   33   31      0.026
  57   29   33    1      0.026
  57   29   33   31    179.974
  26   30   34    2    179.974
  26   30   34   32      0.026
  58   30   34    2      0.026
  58   30   34   32    179.974
  27   31   33    1    179.974
  27   31   33   29      0.026
  59   31   33    1      0.026
  59   31   33   29    179.974
  28   32   34    2    179.974
  28   32   34   30      0.026
  60   32   34    2      0.026
  60   32   34   30    179.974