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2-Methyl-4-dibenzylaminobenzaldehyde-1,1-diphenylhydrazone
2-Methyl-4-dibenzylaminobenzaldehyde-1,1-diphenylhydrazone ID: API-29011
CAS:103079-11-4
Supplier:APIchem

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SMILES:N(c1cc(c(cc1)/C=N/N(c1ccccc1)c1ccccc1)C)(c1c(cccc1)C)c1cc(ccc1)C	ChemMol.com
FORMULA: C34H31N3
MASS: 481.6300
EXACT MASS: 481.2517980
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    5.5678     0.0000 
   N   3    4.5826     1.0000     0.0000 
   C   4    1.0000     4.5826     3.6055     0.0000 
   C   5    1.0000     6.0000     5.0000     1.7320     0.0000 
   C   6    1.0001     6.2450     5.2915     1.7321     1.7321     0.0000 
   C   7    1.7321     4.3589     3.4641     1.0001     2.6458     2.0000 
   C   8    2.6458     3.4641     2.6458     1.7321     3.4641     3.0000 
   C   9    1.7320     5.5678     4.5826     2.0000     1.0000     2.6458 
   C  10    1.7320     4.0000     3.0000     1.0000     2.0000     2.6458 
   C  11    3.0000     2.6457     1.7320     2.0000     3.6055     3.6056 
   C  12    1.7321     7.2111     6.2450     2.6458     2.0000     1.0000 
   C  13    2.6457     3.0000     2.0000     1.7320     3.0000     3.4641 
   C  14    1.7320     7.0000     6.0000     2.6457     1.0000     2.0000 
   C  15    1.7321     6.0828     5.1962     2.0000     2.6458     1.0000 
   C  16    2.6458     7.9373     7.0000     3.4641     3.0000     1.7320 
   C  17    2.6458     6.2450     5.2915     3.0000     1.7321     3.4642 
   C  18    3.4641     3.6056     3.0000     2.6458     4.3589     3.6055 
   C  19    2.0000     4.5826     3.6055     1.7320     1.7320     3.0000 
   C  20    2.6457     7.5498     6.5574     3.4641     1.7320     3.0000 
   C  21    2.6458     6.9282     6.0828     3.0000     3.4641     1.7320 
   C  22    3.0000     7.8102     6.9282     3.6056     3.6055     2.0000 
   C  23    3.0000     7.2111     6.2450     3.6056     2.0000     3.6056 
   C  24    4.0000     1.7320     1.0000     3.0000     4.5826     4.5826 
   C  25    3.4641     8.8882     7.9373     4.3589     3.6056     2.6457 
   C  26    6.2450     1.0000     1.7320     5.2915     6.5574     7.0000 
   C  27    6.0000     1.0000     1.7320     5.0000     6.5574     6.5574 
   C  28    5.5678     1.7321     2.0000     4.5826     6.2450     6.0000 
   C  29    7.2111     1.7320     2.6457     6.2450     7.5498     7.9373 
   C  30    7.0000     1.7320     2.6457     6.0000     7.5498     7.5498 
   C  31    6.0828     1.7321     2.0000     5.1962     6.2450     6.9283 
   C  32    7.9373     2.6458     3.4641     7.0000     8.1854     8.7178 
   C  33    6.2450     2.6458     3.0000     5.2915     7.0000     6.5574 
   C  34    6.9282     2.6458     3.0000     6.0828     7.0000     7.8103 
   C  35    7.5498     2.6458     3.4641     6.5574     8.1854     8.0000 
   C  36    7.8102     3.0000     3.6056     6.9282     7.9373     8.6603 
   C  37    7.2111     3.0000     3.6056     6.2450     7.9373     7.5498 
   H  38    1.8397     4.8708     4.0130     1.4158     2.8292     1.7732 
   H  39    1.8396     4.3433     3.3533     1.4157     1.7732     2.8292 
   H  40    1.8397     7.4070     6.4222     2.8292     1.7732     1.4158 
   H  41    3.1407     2.7431     1.7732     2.2900     3.3533     4.0130 
   H  42    1.8397     7.3297     6.3328     2.8292     1.4158     1.7733 
   H  43    1.8397     5.5285     4.6695     1.7733     2.8292     1.4158 
   H  44    3.1408     6.1257     5.2100     3.3533     2.2901     4.0131 
   H  45    3.1995     4.2047     3.5505     2.5121     4.1517     3.1879 
   H  46    4.0130     3.8242     3.3533     3.2380     4.9340     4.0601 
   H  47    3.8121     3.0148     2.4825     2.9083     4.6403     4.0750 
   H  48    1.4955     4.5067     3.5086     1.1120     1.5200     2.4825 
   H  49    2.3715     3.9755     3.0074     1.8396     2.2901     3.3533 
   H  50    2.5558     4.7390     3.8024     2.3520     2.1114     3.5505 
   H  51    3.1407     8.1660     7.1725     4.0130     2.2901     3.3533 
   H  52    3.1408     6.9559     6.1647     3.3533     4.0130     2.2900 
   H  53    3.6200     8.3333     7.4716     4.2100     4.2100     2.6199 
   H  54    3.6200     7.6540     6.7056     4.2100     2.6200     4.2101 
   H  55    4.3433     1.8397     1.4158     3.3533     5.0104     4.8212 
   H  56    3.1995     8.7271     7.7565     4.1517     3.1879     2.5121 
   H  57    4.0131     9.4829     8.5255     4.9340     4.0601     3.2380 
   H  58    3.8121     9.0888     8.1613     4.6403     4.0751     2.9083 
   H  59    7.4070     1.8397     2.8292     6.4222     7.8169     8.0774 
   H  60    4.9563     1.8397     1.7733     3.9755     5.6520     5.3800 
   H  61    5.5285     1.8397     1.7733     4.6695     5.6520     6.3988 
   H  62    7.3297     1.8397     2.8292     6.3328     7.8169     7.9350 
   H  63    8.5255     3.1408     4.0131     7.5792     8.7923     9.2901 
   H  64    6.1257     3.1408     3.3533     5.2100     6.9386     6.3470 
   H  65    6.9559     3.1408     3.3533     6.1647     6.9386     7.8743 
   H  66    8.1661     3.1408     4.0131     7.1725     8.7923     8.6200 
   H  67    7.6540     3.6200     4.2100     6.7056     8.4157     7.9350 
   H  68    8.3333     3.6200     4.2100     7.4716     8.4157     9.2024 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    3.0000     3.6056     0.0000 
   C  10    1.7321     2.0000     1.7320     0.0000 
   C  11    1.7321     1.0001     3.4641     1.7320     0.0000 
   C  12    3.0000     4.0000     3.0000     3.4641     4.5826     0.0000 
   C  13    2.0000     1.7321     2.6457     1.0000     1.0000     4.3589 
   C  14    3.4641     4.3589     1.7320     3.0000     4.5826     1.7321 
   C  15    1.7320     2.6457     3.4641     3.0000     3.4641     1.7320 
   C  16    3.6055     4.5826     4.0000     4.3589     5.2915     1.0000 
   C  17    4.0001     4.5827     1.0001     2.6458     4.3589     3.6056 
   C  18    1.7320     1.0000     4.5826     3.0000     1.7321     4.5826 
   C  19    2.6458     3.0000     1.0000     1.0000     2.6457     3.6056 
   C  20    4.3589     5.1962     2.0000     3.6055     5.2915     2.6458 
   C  21    2.6457     3.4641     4.3589     4.0000     4.3589     2.0000 
   C  22    3.4641     4.3589     4.5826     4.5826     5.1962     1.7320 
   C  23    4.5827     5.2916     1.7321     3.4641     5.1962     3.4642 
   C  24    2.6458     1.7321     4.3589     2.6457     1.0000     5.5678 
   C  25    4.5826     5.5678     4.5826     5.1962     6.2450     1.7320 
   C  26    5.1962     4.3589     6.0000     4.5826     3.4641     7.9373 
   C  27    4.5826     3.6056     6.2450     4.5826     3.0000     7.5498 
   C  28    4.0000     3.0000     6.0828     4.3589     2.6458     7.0000 
   C  29    6.0828     5.1962     7.0000     5.5678     4.3589     8.8882 
   C  30    5.5678     4.5826     7.2111     5.5678     4.0000     8.5440 
   C  31    5.2916     4.5827     5.5678     4.3589     3.6056     7.8103 
   C  32    6.9283     6.0828     7.5498     6.2450     5.1962     9.6437 
   C  33    4.5826     3.6055     6.9282     5.1962     3.4641     7.5498 
   C  34    6.2450     5.5678     6.2450     5.1962     4.5826     8.6603 
   C  35    6.0000     5.0000     7.9373     6.2450     4.5826     9.0000 
   C  36    7.0000     6.2450     7.2111     6.0828     5.2915     9.5394 
   C  37    5.5678     4.5826     7.8102     6.0828     4.3589     8.5440 
   H  38    0.6200     1.4158     3.3533     2.2901     2.2901     2.7431 
   H  39    2.2901     2.6200     1.2347     0.6200     2.2900     3.5192 
   H  40    3.3533     4.3433     2.7430     3.5191     4.8212     0.6201 
   H  41    2.6200     2.2901     2.8292     1.4158     1.4157     4.8708 
   H  42    3.5192     4.4727     2.2900     3.3533     4.8212     1.2347 
   H  43    1.2346     2.0699     3.5191     2.7431     2.9436     2.2901 
   H  44    4.3434     4.8213     1.4158     2.8292     4.4726     4.2101 
   H  45    1.5200     1.1766     4.5067     3.0634     2.1115     4.1339 
   H  46    2.2900     1.6199     5.1927     3.6200     2.2901     5.0104 
   H  47    2.1114     1.1766     4.7390     3.0634     1.5201     5.0675 
   H  48    2.0403     2.4825     1.1766     0.5572     2.2883     3.1879 
   H  49    2.6009     2.7431     1.6200     0.8743     2.2145     4.0601 
   H  50    3.2567     3.5505     1.1766     1.5679     3.0874     4.0751 
   H  51    4.8708     5.7415     2.6200     4.2100     5.8808     2.8292 
   H  52    2.8291     3.5191     4.8707     4.3433     4.4726     2.6199 
   H  53    4.0130     4.8707     5.1927     5.1927     5.7415     2.2900 
   H  54    5.1928     5.8809     2.2901     4.0130     5.7415     4.0131 
   H  55    2.8292     1.8397     4.8708     3.1408     1.4158     5.8193 
   H  56    4.5067     5.5055     4.1339     4.9156     6.1022     1.5200 
   H  57    5.1927     6.1810     5.0104     5.7415     6.8428     2.2901 
   H  58    4.7390     5.6972     5.0675     5.5323     6.4446     2.1114 
   H  59    6.1648     5.2330     7.3297     5.8193     4.4726     9.0479 
   H  60    3.3800     2.3800     5.5285     3.7980     2.0699     6.3800 
   H  61    4.8399     4.2030     4.9563     3.7980     3.2069     7.2598 
   H  62    5.9770     5.0104     7.4070     5.8193     4.3433     8.9210 
   H  63    7.4716     6.6019     8.1661     6.8428     5.7415    10.2247 
   H  64    4.4186     3.4849     6.9559     5.2330     3.5192     7.3256 
   H  65    6.4222     5.8193     6.1257     5.2330     4.8212     8.6824 
   H  66    6.6200     5.6200     8.5255     6.8428     5.1927     9.6200 
   H  67    5.9770     5.0104     8.3333     6.6018     4.8708     8.9210 
   H  68    7.5792     6.8429     7.6540     6.6018     5.8808    10.0650 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.0000     0.0000 
   C  15    3.6056     3.0000     0.0000 
   C  16    5.1962     2.6458     2.0000     0.0000 
   C  17    3.4641     2.0000     4.3590     4.5826     0.0000 
   C  18    2.6458     5.1962     3.0000     5.0000     5.5678     0.0000 
   C  19    1.7320     2.6457     3.6055     4.5826     1.7321     4.0000 
   C  20    4.5826     1.0000     4.0000     3.4641     1.7321     6.0828 
   C  21    4.5826     3.6055     1.0000     1.7320     5.1962     3.6055 
   C  22    5.2915     3.4641     1.7320     1.0000     5.2915     4.5826 
   C  23    4.3589     1.7321     4.5826     4.3590     1.0000     6.2450 
   C  24    1.7320     5.5678     4.3589     6.2450     5.1962     2.0000 
   C  25    6.0828     3.0000     3.0000     1.0000     5.0001     6.0000 
   C  26    3.6055     7.5498     6.9282     8.7178     6.5574     4.5826 
   C  27    3.6055     7.5498     6.2450     8.1854     7.0000     3.4641 
   C  28    3.4641     7.2111     5.5678     7.5498     6.9283     2.6457 
   C  29    4.5826     8.5440     7.8102     9.6437     7.5498     5.2915 
   C  30    4.5826     8.5440     7.2111     9.1652     7.9373     4.3589 
   C  31    3.4641     7.2111     7.0000     8.6603     6.0000     5.0001 
   C  32    5.2915     9.1652     8.6603    10.4403     8.0000     6.2450 
   C  33    4.3589     7.9373     6.0000     8.0000     7.8103     3.0000 
   C  34    4.3589     7.9373     7.9373     9.5394     6.5574     6.0000 
   C  35    5.2915     9.1652     7.5498     9.5394     8.7178     4.5826 
   C  36    5.1962     8.8882     8.7178    10.3923     7.5498     6.5575 
   C  37    5.1962     8.8882     7.0000     9.0000     8.6603     4.0000 
   H  38    2.6200     3.5192     1.2347     3.2069     4.3434     1.8397 
   H  39    1.4158     2.7431     3.3533     4.4726     2.0699     3.6200 
   H  40    4.4726     1.2347     2.2901     1.4158     3.2070     5.0104 
   H  41    0.6200     4.3433     4.2100     5.7415     3.5192     3.1408 
   H  42    4.3433     0.6200     2.7431     2.0699     2.6200     5.2330 
   H  43    3.2069     3.3533     0.6200     2.6200     4.4727     2.3800 
   H  44    3.5192     2.6200     4.8708     5.1928     0.6200     5.8193 
   H  45    2.9083     4.9156     2.4825     4.4739     5.5056     0.6200 
   H  46    3.2380     5.7415     3.3533     5.3371     6.1810     0.6200 
   H  47    2.5121     5.5322     3.5505     5.5456     5.6972     0.6200 
   H  48    1.5200     2.5121     3.0148     4.1339     2.1115     3.4769 
   H  49    1.2346     3.2380     3.8242     5.0104     2.2901     3.7289 
   H  50    2.1114     2.9083     4.2047     5.0675     1.5201     4.5475 
   H  51    5.1927     1.4158     4.3433     3.5191     2.2901     6.6018 
   H  52    4.8212     4.2100     1.4157     2.2900     5.7415     3.4849 
   H  53    5.8808     4.0130     2.2900     1.4157     5.8809     5.0104 
   H  54    4.8708     2.2901     5.1928     4.8708     1.4158     6.8429 
   H  55    2.2901     5.9770     4.4726     6.4222     5.7415     1.7732 
   H  56    5.8449     2.4825     3.0634     1.1766     4.4739     6.0319 
   H  57    6.6486     3.3533     3.6200     1.6200     5.3371     6.6200 
   H  58    6.3723     3.5505     3.0634     1.1766     5.5457     6.0319 
   H  59    4.8212     8.8161     7.8743     9.7593     7.9350     5.2100 
   H  60    2.9436     6.6109     4.9562     6.9343     6.3988     2.0699 
   H  61    2.9436     6.6109     6.5242     8.1293     5.3800     4.7207 
   H  62    4.8212     8.8161     7.6540     9.5825     8.0774     4.8708 
   H  63    5.8809     9.7747     9.2024    11.0075     8.6200     6.7056 
   H  64    4.4726     7.8437     5.7153     7.7087     7.8743     2.7431 
   H  65    4.4726     7.8437     8.0774     9.5919     6.3470     6.3328 
   H  66    5.8809     9.7747     8.1660    10.1570     9.2901     5.1927 
   H  67    5.7415     9.3512     7.3297     9.3255     9.2024     4.3433 
   H  68    5.7415     9.3512     9.2900    10.9336     7.9350     7.1725 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.0000     0.0000 
   C  21    4.5826     4.5826     0.0000 
   C  22    5.0000     4.3589     1.0000     0.0000 
   C  23    2.6458     1.0001     5.2915     5.1962     0.0000 
   C  24    3.4641     6.2450     5.1962     6.0828     6.0828     0.0000 
   C  25    5.2915     3.6055     2.6457     1.7320     4.5826     7.2111 
   C  26    5.0000     8.0000     7.8102     8.6602     7.5498     2.6457 
   C  27    5.2915     8.1853     7.0000     7.9373     7.9373     2.0000 
   C  28    5.1962     7.9373     6.2450     7.2111     7.8103     1.7321 
   C  29    6.0000     9.0000     8.6602     9.5394     8.5440     3.4641 
   C  30    6.2450     9.1651     7.9373     8.8882     8.8882     3.0000 
   C  31    4.5826     7.5498     7.9373     8.7178     7.0000     3.0000 
   C  32    6.5574     9.5394     9.5394    10.3923     9.0000     4.3589 
   C  33    6.0828     8.7178     6.5574     7.5498     8.6603     2.6458 
   C  34    5.2915     8.1854     8.8882     9.6437     7.5498     4.0000 
   C  35    7.0000     9.8489     8.1853     9.1651     9.6437     3.6056 
   C  36    6.2450     9.1652     9.6437    10.4403     8.5440     4.5826 
   C  37    6.9282     9.6437     7.5498     8.5440     9.5394     3.4641 
   H  38    3.1408     4.4726     2.0699     2.9435     4.8213     3.1408 
   H  39    0.3800     3.2069     4.3433     4.8212     2.9436     3.1407 
   H  40    3.4849     2.0698     2.6200     2.2901     2.9436     5.8193 
   H  41    1.8397     4.8212     5.1927     5.8808     4.4727     1.8396 
   H  42    3.1407     1.4157     3.2070     2.9436     2.2901     5.8193 
   H  43    3.4849     4.3433     1.4158     2.2901     4.8213     3.7980 
   H  44    1.8397     2.2901     5.7415     5.8809     1.4158     5.2330 
   H  45    4.0478     5.8449     3.0148     4.0019     6.1023     2.5558 
   H  46    4.6200     6.6486     3.8242     4.8212     6.8429     2.3716 
   H  47    4.0477     6.3723     4.2047     5.1724     6.4446     1.4956 
   H  48    0.6200     3.0634     4.0019     4.4738     2.9083     3.1995 
   H  49    0.6200     3.6200     4.8212     5.3371     3.2380     2.9435 
   H  50    0.6200     3.0634     5.1724     5.5456     2.5121     3.8121 
   H  51    3.6200     0.6200     4.8212     4.4726     1.4158     6.8428 
   H  52    5.0104     5.1927     0.6200     1.4158     5.8809     5.2330 
   H  53    5.6199     4.8707     1.4158     0.6200     5.7415     6.6018 
   H  54    3.1408     1.4158     5.8809     5.7415     0.6200     6.6018 
   H  55    4.0130     6.7056     5.2330     6.1648     6.6019     0.6201 
   H  56    4.9080     3.0148     2.9083     2.1114     4.0019     7.0878 
   H  57    5.7745     3.8242     3.2380     2.2901     4.8213     7.8144 
   H  58    5.7166     4.2047     2.5121     1.5200     5.1725     7.3846 
   H  59    6.3328     9.3255     8.6824     9.5919     8.9210     3.5191 
   H  60    4.6695     7.3542     5.6519     6.6109     7.2598     1.2347 
   H  61    3.9755     6.9343     7.4796     8.2283     6.3800     2.7431 
   H  62    6.4222     9.3864     8.4157     9.3512     9.0479     3.3533 
   H  63    7.1725    10.1570    10.0650    10.9337     9.6200     4.8708 
   H  64    6.1647     8.6686     6.1987     7.1975     8.6824     2.8292 
   H  65    5.2100     8.0178     9.0479     9.7593     7.3256     4.3433 
   H  66    7.5792    10.4482     8.7923     9.7747    10.2247     4.2101 
   H  67    7.4716    10.1333     7.8169     8.8161    10.0650     4.0130 
   H  68    6.7056     9.5825    10.2247    11.0075     8.9210     5.1927 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    9.6437     0.0000 
   C  27    9.1652     1.7320     0.0000 
   C  28    8.5440     2.6458     1.0001     0.0000 
   C  29   10.5830     1.0000     2.0000     3.0000     0.0000 
   C  30   10.1489     2.0000     1.0000     1.7321     1.7320     0.0000 
   C  31    9.5394     1.0001     2.6458     3.4642     1.7321     3.0000 
   C  32   11.3578     1.7321     3.0000     4.0001     1.0001     2.6458 
   C  33    9.0000     3.4641     1.7321     1.0000     3.6055     2.0000 
   C  34   10.3923     1.7321     3.4641     4.3590     2.0000     3.6055 
   C  35   10.5357     3.0000     1.7321     2.0000     2.6458     1.0001 
   C  36   11.2694     2.0000     3.6055     4.5826     1.7321     3.4641 
   C  37   10.0000     3.6055     2.0000     1.7320     3.4641     1.7321 
   H  38    4.2029     5.7415     5.0104     4.3433     6.6018     5.9770 
   H  39    5.2330     4.8212     5.0104     4.8708     5.8193     5.9770 
   H  40    1.8397     8.0774     7.8169     7.3297     9.0479     8.8161 
   H  41    6.6018     3.2069     3.4849     3.5192     4.2029     4.4186 
   H  42    2.3801     7.9350     7.8169     7.4071     8.9210     8.8161 
   H  43    3.6200     6.3988     5.6520     4.9562     7.2598     6.6109 
   H  44    5.6200     6.3470     6.9386     6.9559     7.3256     7.8437 
   H  45    5.4719     5.1724     4.0841     3.2566     5.9015     4.9753 
   H  46    6.3328     4.8212     3.5192     2.6008     5.4428     4.3318 
   H  47    6.5442     4.0019     2.8442     2.0403     4.6842     3.7437 
   H  48    4.9080     5.0383     5.1222     4.9156     6.0319     6.1022 
   H  49    5.7745     4.3800     4.7100     4.6695     5.3800     5.6519 
   H  50    5.7166     5.0383     5.5256     5.5323     6.0319     6.4445 
   H  51    3.4849     8.6200     8.7923     8.5255     9.6200     9.7747 
   H  52    3.1407     7.8742     6.9386     6.1257     8.6824     7.8437 
   H  53    1.8396     9.2024     8.4157     7.6540    10.0650     9.3512 
   H  54    5.0105     7.9350     8.4157     8.3334     8.9210     9.3512 
   H  55    7.4070     2.8292     1.7733     1.2347     3.5192     2.7431 
   H  56    0.6200     9.4387     9.0684     8.5036    10.3966    10.0616 
   H  57    0.6200    10.2247     9.7747     9.1610    11.1707    10.7603 
   H  58    0.6200     9.8833     9.3023     8.6289    10.8018    10.2729 
   H  59   10.7175     1.4158     1.7732     2.7431     0.6200     1.2347 
   H  60    7.9274     2.8292     1.4158     0.6200     3.3533     2.2901 
   H  61    8.9914     1.4158     2.8292     3.5192     2.2901     3.3533 
   H  62   10.5567     1.7732     1.4158     2.2901     1.2347     0.6200 
   H  63   11.9334     2.2901     3.3533     4.3434     1.4158     2.8292 
   H  64    8.7066     4.0130     2.2901     1.4157     4.2100     2.6200 
   H  65   10.4108     2.2901     4.0130     4.8708     2.6200     4.2100 
   H  66   11.1537     3.3533     2.2901     2.6200     2.8292     1.4158 
   H  67   10.3240     4.2100     2.6200     2.2900     4.0130     2.2901 
   H  68   11.7968     2.6200     4.2100     5.1928     2.2901     4.0130 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    2.0000     0.0000 
   C  33    4.3590     4.5826     0.0000 
   C  34    1.0000     1.7320     5.1962     0.0000 
   C  35    4.0001     3.4642     1.7320     4.5826     0.0000 
   C  36    1.7320     1.0000     5.2915     1.0000     4.3590     0.0000 
   C  37    4.5826     4.3590     1.0000     5.2915     1.0000     5.1962 
   H  38    5.8809     7.4716     4.8212     6.8429     6.3328     7.5792 
   H  39    4.4727     6.4222     5.7415     5.2330     6.7056     6.1648 
   H  40    7.8743     9.7593     7.9350     8.6824     9.3255     9.5919 
   H  41    2.9436     4.8399     4.4726     3.7980     5.2100     4.6695 
   H  42    7.6540     9.5825     8.0774     8.4157     9.3864     9.3512 
   H  43    6.5242     8.1293     5.3800     7.4796     6.9343     8.2283 
   H  44    5.7153     7.7087     7.8743     6.1987     8.6686     7.1975 
   H  45    5.5456     6.8485     3.5505     6.5443     5.1724     7.1345 
   H  46    5.3371     6.4222     2.7431     6.3328     4.4186     6.8180 
   H  47    4.4739     5.6452     2.4825     5.4719     4.0019     5.9890 
   H  48    4.7390     6.6677     5.7523     5.5256     6.7943     6.4446 
   H  49    3.9755     5.9434     5.5843     4.7100     6.4284     5.6520 
   H  50    4.5067     6.5047     6.4560     5.1222     7.2530     6.1022 
   H  51    8.1661    10.1570     9.2900     8.7923    10.4482     9.7747 
   H  52    8.0774     9.5919     6.3470     9.0479     8.0177     9.7593 
   H  53    9.2900    10.9336     7.9350    10.2247     9.5825    11.0075 
   H  54    7.3297     9.3255     9.2024     7.8169    10.1334     8.8161 
   H  55    3.3533     4.4727     2.0699     4.3434     3.2069     4.8213 
   H  56    9.2745    11.1362     9.0213    10.0966    10.5029    10.9973 
   H  57   10.0958    11.9334     9.6200    10.9337    11.1537    11.8231 
   H  58    9.8364    11.6084     9.0213    10.7158    10.6046    11.5684 
   H  59    2.2901     1.4158     3.2070     2.6200     2.0699     2.2901 
   H  60    3.5192     4.3434     1.4158     4.4727     2.6200     4.8213 
   H  61    0.6200     2.6200     4.4727     1.4158     4.3434     2.2901 
   H  62    2.7431     2.0699     2.6200     3.2070     1.4158     2.9436 
   H  63    2.6200     0.6200     4.8213     2.2901     3.5192     1.4158 
   H  64    4.8708     5.1928     0.6200     5.7415     2.2900     5.8809 
   H  65    1.4157     2.2900     5.7415     0.6200     5.1928     1.4158 
   H  66    4.3434     3.5192     2.2901     4.8213     0.6200     4.4727 
   H  67    5.1928     4.8708     1.4158     5.8809     1.4157     5.7415 
   H  68    2.2900     1.4157     5.8809     1.4158     4.8708     0.6200 

              C  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   C  37    0.0000 
   H  38    5.8193     0.0000 
   H  39    6.6018     2.8059     0.0000 
   H  40    8.9210     3.1864     3.4641     0.0000 
   H  41    5.2330     3.2400     1.6200     4.9340     0.0000 
   H  42    9.0479     3.4641     3.1864     0.6582     4.7431     0.0000 
   H  43    6.3800     0.6582     3.1864     2.8059     3.8242     3.1864 
   H  44    8.6824     4.7432     2.2146     3.8242     3.4641     3.2400 
   H  45    4.5475     1.4245     3.6727     4.6037     3.4624     4.8869 
   H  46    3.7289     2.2901     4.2400     5.4752     3.7058     5.7415 
   H  47    3.4769     2.3470     3.6727     5.4575     2.9170     5.6264 
   H  48    6.6399     2.5222     0.3475     3.1580     1.8332     2.9170 
   H  49    6.3988     3.1644     0.5415     4.0016     1.2347     3.7058 
   H  50    7.2581     3.7598     0.9679     3.8839     2.0437     3.4624 
   H  51   10.2247     4.9340     3.8242     2.2146     5.4400     1.6199 
   H  52    7.3256     2.2145     4.7431     3.2400     5.4399     3.8242 
   H  53    8.9210     3.4641     5.4399     2.8059     6.4759     3.4641 
   H  54   10.0650     5.4400     3.4641     3.4641     4.9340     2.8059 
   H  55    2.9435     3.2380     3.6739     6.1235     2.4522     6.1810 
   H  56   10.0192     4.2001     4.8869     1.4245     6.3310     1.8690 
   H  57   10.6200     4.8212     5.7415     2.2901     7.1535     2.7431 
   H  58   10.0192     4.2961     5.6264     2.3470     6.9178     2.9334 
   H  59    2.9436     6.6486     6.1235     9.2465     4.5048     9.1610 
   H  60    2.2901     3.7289     4.3318     6.7115     3.0714     6.7959 
   H  61    4.8213     5.4429     3.8787     7.3024     2.3903     7.0643 
   H  62    2.2901     6.4201     6.1810     9.1610     4.5826     9.1224 
   H  63    4.4727     8.0021     7.0323    10.3525     5.4428    10.1859 
   H  64    1.4158     4.5826     5.8080     7.7468     4.6666     7.9373 
   H  65    5.8809     7.0323     5.1962     8.6602     3.8787     8.3506 
   H  66    1.4158     6.9508     7.2920     9.9445     5.7745    10.0017 
   H  67    0.6200     6.1810     7.1370     9.3240     5.8080     9.4829 
   H  68    5.7415     8.1644     6.6486    10.0957     5.1962     9.8314 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    4.9340     0.0000 
   H  45    1.8690     5.8173     0.0000 
   H  46    2.7431     6.4384     0.8768     0.0000 
   H  47    2.9333     5.8870     1.2399     0.8768     0.0000 
   H  48    2.8694     2.3470     3.4769     4.0948     3.5857     0.0000 
   H  49    3.6055     2.2901     3.8671     4.3433     3.6909     0.8768 
   H  50    4.1017     1.4245     4.6313     5.1662     4.5475     1.2400 
   H  51    4.7432     2.8059     6.3310     7.1535     6.9178     3.6727 
   H  52    1.6199     6.2700     2.8694     3.6055     4.1017     4.4106 
   H  53    2.8059     6.4759     4.4106     5.1927     5.6146     5.0925 
   H  54    5.4400     1.6200     6.7128     7.4443     7.0254     3.4625 
   H  55    3.8787     5.8081     2.3825     2.0000     1.1752     3.6980 
   H  56    3.6727     5.0925     5.5417     6.4152     6.5442     4.5767 
   H  57    4.2400     5.9543     6.0910     6.9508     7.1636     5.4252 
   H  58    3.6727     6.1648     5.4719     6.3105     6.6027     5.2915 
   H  59    7.3024     7.7468     5.8285     5.2915     4.5920     6.3105 
   H  60    4.3471     6.4586     2.6878     2.1055     1.4536     4.3551 
   H  61    6.0744     5.0983     5.2319     5.1141     4.2386     4.1549 
   H  62    7.0643     7.9373     5.4903     4.8860     4.2513     6.3362 
   H  63    8.6603     8.3273     7.3166     6.8429     6.0965     7.2734 
   H  64    5.0983     7.9861     3.2349     2.3800     2.3137     5.7816 
   H  65    7.6533     5.9434     6.8507     6.7065     5.8349     5.5084 
   H  66    7.5498     9.2231     5.7778     5.0104     4.6167     7.3897 
   H  67    6.7115     9.2441     4.8522     4.0000     3.8670     7.1587 
   H  68    8.8105     7.5498     7.7467     7.4373     6.6065     6.9399 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.8768     0.0000 
   H  51    4.2400     3.6727     0.0000 
   H  52    5.1927     5.6146     5.4399     0.0000 
   H  53    5.9542     6.1647     4.9339     1.6200     0.0000 
   H  54    3.7058     2.9171     1.6200     6.4759     6.2700     0.0000 
   H  55    3.5192     4.3935     7.2920     5.1961     6.6486     7.1371 
   H  56    5.4252     5.2915     2.8694     3.4624     2.3470     4.4107 
   H  57    6.2815     6.1664     3.6055     3.7058     2.2900     5.1928 
   H  58    6.1664     6.1748     4.1017     2.9170     1.4244     5.6147 
   H  59    5.7153     6.4152     9.9445     8.6602    10.0957     9.3240 
   H  60    4.1687     5.0409     7.9373     5.5545     7.0643     7.7952 
   H  61    3.3731     3.8878     7.5498     7.6533     8.8105     6.7115 
   H  62    5.8142     6.5659    10.0017     8.3506     9.8314     9.4829 
   H  63    6.5574     7.1243    10.7749    10.0958    11.4662     9.9445 
   H  64    5.7073     6.5841     9.2230     5.9434     7.5498     9.2441 
   H  65    4.6597     4.9714     8.6142     9.2465    10.3524     7.5498 
   H  66    7.0000     7.8135    11.0498     8.6142    10.1859    10.7058 
   H  67    6.9559     7.8211    10.7057     7.5498     9.1610    10.6008 
   H  68    6.1257     6.5219    10.1859    10.3524    11.5800     9.1610 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    7.3326     0.0000 
   H  57    8.0195     0.8768     0.0000 
   H  58    7.5320     1.2400     0.8768     0.0000 
   H  59    3.4641    10.5650    11.3152    10.9032     0.0000 
   H  60    0.6582     7.8838     8.5440     8.0189     3.1864     0.0000 
   H  61    3.1865     8.7098     9.5394     9.3059     2.8059     3.4642 
   H  62    3.1864    10.4410    11.1630    10.7071     0.6582     2.8059 
   H  63    4.9341    11.7226    12.5131    12.1721     1.6200     4.7432 
   H  64    2.2145     8.7667     9.3255     8.6904     3.8242     1.6199 
   H  65    4.7432    10.0827    10.9336    10.7647     3.2400     4.9340 
   H  66    3.8242    11.1227    11.7719    11.2189     2.2146     3.2400 
   H  67    3.4641    10.3747    10.9432    10.3103     3.4641     2.8059 
   H  68    5.4400    11.5083    12.3423    12.1102     2.8059     5.4400 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    3.1864     0.0000 
   H  63    3.2400     2.2146     0.0000 
   H  64    4.9340     3.2400     5.4400     0.0000 
   H  65    1.6199     3.8242     2.8059     6.2700     0.0000 
   H  66    4.7432     1.6200     3.4642     2.8059     5.4400     0.0000 
   H  67    5.4400     2.8059     4.9340     1.6200     6.4759     1.6199 
   H  68    2.8059     3.4641     1.6199     6.4759     1.6200     4.9340 

              H  67      H  68
              ----------------------
   H  67    0.0000 
   H  68    6.2700     0.0000 



ATOMIC CHARGES
   N   1   -0.2689476097
   N   2   -0.1931457709
   N   3   -0.1824450175
   C   4    0.0390488784
   C   5    0.0416534228
   C   6    0.0390123338
   C   7   -0.0364876968
   C   8   -0.0400482809
   C   9   -0.0287791089
   C  10   -0.0393896091
   C  11   -0.0024171107
   C  12   -0.0370920275
   C  13   -0.0510796002
   C  14   -0.0397533331
   C  15   -0.0399925015
   C  16   -0.0486810440
   C  17   -0.0570665043
   C  18   -0.0390451632
   C  19   -0.0379391655
   C  20   -0.0599751609
   C  21   -0.0597436064
   C  22   -0.0587234295
   C  23   -0.0613961144
   C  24    0.0535792714
   C  25   -0.0396506539
   C  26    0.0571055078
   C  27    0.0571055078
   C  28   -0.0384793568
   C  29   -0.0384793568
   C  30   -0.0384793568
   C  31   -0.0384793568
   C  32   -0.0599422928
   C  33   -0.0599422928
   C  34   -0.0599422928
   C  35   -0.0599422928
   C  36   -0.0616432642
   C  37   -0.0616432642
   H  38    0.0639020859
   H  39    0.0636389170
   H  40    0.0638835990
   H  41    0.0624566479
   H  42    0.0636288286
   H  43    0.0636205161
   H  44    0.0620776090
   H  45    0.0277724795
   H  46    0.0277724795
   H  47    0.0277724795
   H  48    0.0278111955
   H  49    0.0278111955
   H  50    0.0278111955
   H  51    0.0618156803
   H  52    0.0618236618
   H  53    0.0620214300
   H  54    0.0617677506
   H  55    0.0851528212
   H  56    0.0277540047
   H  57    0.0277540047
   H  58    0.0277540047
   H  59    0.0636701631
   H  60    0.0636701631
   H  61    0.0636701631
   H  62    0.0636701631
   H  63    0.0618160856
   H  64    0.0618160856
   H  65    0.0618160856
   H  66    0.0618160856
   H  67    0.0617595663
   H  68    0.0617595663


BOND ANGLES
   4    1    5  Car  Npl  Car    120.001
   4    1    6  Car  Npl  Car    119.998
   5    1    6  Car  Npl  Car    120.001
   3    2   26   N2  Npl  Car    120.001
   3    2   27   N2  Npl  Car    120.001
  26    2   27  Car  Npl  Car    119.999
   2    3   24  Npl   N2   C2    120.001
   1    4    7  Npl  Car  Car    119.998
   1    4   10  Npl  Car  Car    120.001
   7    4   10  Car  Car  Car    120.001
   1    5    9  Npl  Car  Car    119.999
   1    5   14  Npl  Car  Car    120.001
   9    5   14  Car  Car  Car    120.001
   1    6   12  Npl  Car  Car    119.998
   1    6   15  Npl  Car  Car    120.001
  12    6   15  Car  Car  Car    120.001
   4    7    8  Car  Car  Car    119.998
   4    7   38  Car  Car   HC    120.000
   8    7   38  Car  Car   HC    120.002
   7    8   11  Car  Car  Car    119.998
   7    8   18  Car  Car   C3    120.001
  11    8   18  Car  Car   C3    120.001
   5    9   17  Car  Car  Car    120.001
   5    9   19  Car  Car   C3    120.001
  17    9   19  Car  Car   C3    119.998
   4   10   13  Car  Car  Car    120.001
   4   10   39  Car  Car   HC    119.998
  13   10   39  Car  Car   HC    120.002
   8   11   13  Car  Car  Car    120.001
   8   11   24  Car  Car   C2    119.998
  13   11   24  Car  Car   C2    120.001
   6   12   16  Car  Car  Car    120.001
   6   12   40  Car  Car   HC    119.997
  16   12   40  Car  Car   HC    120.002
  10   13   11  Car  Car  Car    120.001
  10   13   41  Car  Car   HC    120.002
  11   13   41  Car  Car   HC    119.998
   5   14   20  Car  Car  Car    120.001
   5   14   42  Car  Car   HC    120.002
  20   14   42  Car  Car   HC    119.998
   6   15   21  Car  Car  Car    119.999
   6   15   43  Car  Car   HC    120.001
  21   15   43  Car  Car   HC    120.001
  12   16   22  Car  Car  Car    119.999
  12   16   25  Car  Car   C3    120.001
  22   16   25  Car  Car   C3    120.001
   9   17   23  Car  Car  Car    119.998
   9   17   44  Car  Car   HC    120.000
  23   17   44  Car  Car   HC    120.002
   8   18   45  Car   C3   HC     90.001
   8   18   46  Car   C3   HC    179.974
   8   18   47  Car   C3   HC     89.999
  45   18   46   HC   C3   HC     90.000
  45   18   47   HC   C3   HC    179.974
  46   18   47   HC   C3   HC     90.000
   9   19   48  Car   C3   HC     90.000
   9   19   49  Car   C3   HC    179.974
   9   19   50  Car   C3   HC     90.000
  48   19   49   HC   C3   HC     90.000
  48   19   50   HC   C3   HC    179.974
  49   19   50   HC   C3   HC     90.000
  14   20   23  Car  Car  Car    120.001
  14   20   51  Car  Car   HC    120.001
  23   20   51  Car  Car   HC    119.998
  15   21   22  Car  Car  Car    120.001
  15   21   52  Car  Car   HC    119.998
  22   21   52  Car  Car   HC    120.002
  16   22   21  Car  Car  Car    120.001
  16   22   53  Car  Car   HC    119.998
  21   22   53  Car  Car   HC    120.002
  17   23   20  Car  Car  Car    119.998
  17   23   54  Car  Car   HC    120.002
  20   23   54  Car  Car   HC    120.000
   3   24   11   N2   C2  Car    120.001
   3   24   55   N2   C2   HC    120.002
  11   24   55  Car   C2   HC    119.997
  16   25   56  Car   C3   HC     90.000
  16   25   57  Car   C3   HC    179.974
  16   25   58  Car   C3   HC     90.000
  56   25   57   HC   C3   HC     90.000
  56   25   58   HC   C3   HC    179.974
  57   25   58   HC   C3   HC     90.000
   2   26   29  Npl  Car  Car    120.001
   2   26   31  Npl  Car  Car    120.001
  29   26   31  Car  Car  Car    119.998
   2   27   28  Npl  Car  Car    120.001
   2   27   30  Npl  Car  Car    120.001
  28   27   30  Car  Car  Car    119.998
  27   28   33  Car  Car  Car    120.001
  27   28   60  Car  Car   HC    119.998
  33   28   60  Car  Car   HC    120.001
  26   29   32  Car  Car  Car    119.998
  26   29   59  Car  Car   HC    120.002
  32   29   59  Car  Car   HC    120.000
  27   30   35  Car  Car  Car    119.998
  27   30   62  Car  Car   HC    120.002
  35   30   62  Car  Car   HC    120.000
  26   31   34  Car  Car  Car    120.001
  26   31   61  Car  Car   HC    119.998
  34   31   61  Car  Car   HC    120.001
  29   32   36  Car  Car  Car    120.001
  29   32   63  Car  Car   HC    119.998
  36   32   63  Car  Car   HC    120.001
  28   33   37  Car  Car  Car    120.001
  28   33   64  Car  Car   HC    119.998
  37   33   64  Car  Car   HC    120.002
  31   34   36  Car  Car  Car    120.001
  31   34   65  Car  Car   HC    119.998
  36   34   65  Car  Car   HC    120.002
  30   35   37  Car  Car  Car    120.001
  30   35   66  Car  Car   HC    119.998
  37   35   66  Car  Car   HC    120.001
  32   36   34  Car  Car  Car    120.001
  32   36   68  Car  Car   HC    119.998
  34   36   68  Car  Car   HC    120.002
  33   37   35  Car  Car  Car    120.001
  33   37   67  Car  Car   HC    120.002
  35   37   67  Car  Car   HC    119.998


TORSION ANGLES
   5    1    4    7    179.974
   5    1    4   10      0.026
   6    1    4    7      0.026
   6    1    4   10    179.974
   4    1    5    9      0.026
   4    1    5   14    179.974
   6    1    5    9    179.974
   6    1    5   14      0.026
   4    1    6   12    179.974
   4    1    6   15      0.026
   5    1    6   12      0.026
   5    1    6   15    179.974
  26    2    3   24    179.974
  27    2    3   24      0.026
   3    2   26   29    179.974
   3    2   26   31      0.026
  27    2   26   29      0.026
  27    2   26   31    179.974
   3    2   27   28      0.026
   3    2   27   30    179.974
  26    2   27   28    179.974
  26    2   27   30      0.026
   2    3   24   11    179.974
   2    3   24   55      0.026
   1    4    7    8    179.974
   1    4    7   38      0.026
  10    4    7    8      0.026
  10    4    7   38    179.974
   1    4   10   13    179.974
   1    4   10   39      0.026
   7    4   10   13      0.026
   7    4   10   39    179.974
   1    5    9   17    179.974
   1    5    9   19      0.026
  14    5    9   17      0.026
  14    5    9   19    179.974
   1    5   14   20    179.974
   1    5   14   42      0.026
   9    5   14   20      0.026
   9    5   14   42    179.974
   1    6   12   16    179.974
   1    6   12   40      0.026
  15    6   12   16      0.026
  15    6   12   40    179.974
   1    6   15   21    179.974
   1    6   15   43      0.026
  12    6   15   21      0.026
  12    6   15   43    179.974
   4    7    8   11      0.026
   4    7    8   18    179.974
  38    7    8   11    179.974
  38    7    8   18      0.026
   7    8   11   13      0.026
   7    8   11   24    179.974
  18    8   11   13    179.974
  18    8   11   24      0.026
   7    8   18   45      0.026
   7    8   18   46    179.974
   7    8   18   47    179.974
  11    8   18   45    179.974
  11    8   18   46      0.026
  11    8   18   47      0.026
   5    9   17   23      0.026
   5    9   17   44    179.974
  19    9   17   23    179.974
  19    9   17   44      0.026
   5    9   19   48      0.026
   5    9   19   49    180.000
   5    9   19   50    179.974
  17    9   19   48    179.974
  17    9   19   49    180.000
  17    9   19   50      0.026
   4   10   13   11      0.026
   4   10   13   41    179.974
  39   10   13   11    179.974
  39   10   13   41      0.026
   8   11   13   10      0.026
   8   11   13   41    179.974
  24   11   13   10    179.974
  24   11   13   41      0.026
   8   11   24    3    179.974
   8   11   24   55      0.026
  13   11   24    3      0.026
  13   11   24   55    179.974
   6   12   16   22      0.026
   6   12   16   25    179.974
  40   12   16   22    179.974
  40   12   16   25      0.026
   5   14   20   23      0.026
   5   14   20   51    179.974
  42   14   20   23    179.974
  42   14   20   51      0.026
   6   15   21   22      0.026
   6   15   21   52    179.974
  43   15   21   22    179.974
  43   15   21   52      0.026
  12   16   22   21      0.026
  12   16   22   53    179.974
  25   16   22   21    179.974
  25   16   22   53      0.026
  12   16   25   56      0.026
  12   16   25   57    180.000
  12   16   25   58    179.974
  22   16   25   56    179.974
  22   16   25   57    180.000
  22   16   25   58      0.026
   9   17   23   20      0.026
   9   17   23   54    179.974
  44   17   23   20    179.974
  44   17   23   54      0.026
  14   20   23   17      0.026
  14   20   23   54    179.974
  51   20   23   17    179.974
  51   20   23   54      0.026
  15   21   22   16      0.026
  15   21   22   53    179.974
  52   21   22   16    179.974
  52   21   22   53      0.026
   2   26   29   32    179.974
   2   26   29   59      0.026
  31   26   29   32      0.026
  31   26   29   59    179.974
   2   26   31   34    179.974
   2   26   31   61      0.026
  29   26   31   34      0.026
  29   26   31   61    179.974
   2   27   28   33    179.974
   2   27   28   60      0.026
  30   27   28   33      0.026
  30   27   28   60    179.974
   2   27   30   35    179.974
   2   27   30   62      0.026
  28   27   30   35      0.026
  28   27   30   62    179.974
  27   28   33   37      0.026
  27   28   33   64    179.974
  60   28   33   37    179.974
  60   28   33   64      0.026
  26   29   32   36      0.026
  26   29   32   63    179.974
  59   29   32   36    179.974
  59   29   32   63      0.026
  27   30   35   37      0.026
  27   30   35   66    179.974
  62   30   35   37    179.974
  62   30   35   66      0.026
  26   31   34   36      0.026
  26   31   34   65    179.974
  61   31   34   36    179.974
  61   31   34   65      0.026
  29   32   36   34      0.026
  29   32   36   68    179.974
  63   32   36   34    179.974
  63   32   36   68      0.026
  28   33   37   35      0.026
  28   33   37   67    179.974
  64   33   37   35    179.974
  64   33   37   67      0.026
  31   34   36   32      0.026
  31   34   36   68    179.974
  65   34   36   32    179.974
  65   34   36   68      0.026
  30   35   37   33      0.026
  30   35   37   67    179.974
  66   35   37   33    179.974
  66   35   37   67      0.026