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(4Z)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]hydrazono]-3-oxo-naphthalene-2-carboxamide
(4Z)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]hydrazono]-3-oxo-naphthalene-2-carboxamide ID: AN-40143
CAS:56396-10-2
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1c(N/N=C\2/c3c(C=C(C2=O)C(=O)N)cccc3)cc(cc1)C(=O)Nc1ccccc1)C	9576082
FORMULA: C25H20N4O4
MASS: 440.4507
EXACT MASS: 440.1484551
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      N   5      N   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.6457     0.0000 
   O   3    4.0000     1.7320     0.0000 
   O   4    4.5826     5.2916     7.0000     0.0000 
   N   5    2.0000     1.7321     3.4641     3.6056     0.0000 
   N   6    3.0000     2.0000     3.6056     3.4641     1.0000     0.0000 
   N   7    4.5826     6.0828     7.8102     1.7321     4.3589     4.5826 
   N   8    5.5678     3.0000     1.7320     7.8103     4.5826     4.3589 
   C   9    4.5826     2.6458     3.6055     4.5826     2.6457     1.7320 
   C  10    5.2915     3.0000     3.4641     5.5678     3.4641     2.6457 
   C  11    3.6056     1.7321     3.0000     4.3589     1.7320     1.0000 
   C  12    5.1962     2.6458     2.6458     6.2450     3.6055     3.0000 
   C  13    4.3589     1.7321     1.7321     6.0828     3.0000     2.6457 
   C  14    3.4641     1.0001     2.0000     5.1962     2.0000     1.7320 
   C  15    5.0071     3.4923     4.6204     3.9654     3.0072     2.0073 
   C  16    6.2894     4.0416     4.3908     6.0348     4.4034     3.5081 
   C  17    1.7321     2.6458     4.3589     3.0000     1.0000     1.7320 
   C  18    3.0000     4.3589     6.0828     1.7321     2.6457     3.0000 
   C  19    2.6458     3.4641     5.1962     2.0000     1.7320     2.0000 
   C  20    1.0000     3.0000     4.5826     3.6056     1.7321     2.6458 
   C  21    6.0487     4.4241     5.3622     4.5755     4.0487     3.0489 
   C  22    6.6240     4.6536     5.2641     5.5992     4.6476     3.6691 
   C  23    2.6458     4.5826     6.2450     2.6458     3.0000     3.6055 
   C  24    1.7320     4.0000     5.5678     3.4642     2.6458     3.4641 
   C  25    4.5826     2.0000     1.0000     6.9283     3.6056     3.4641 
   C  26    4.0000     5.1962     6.9282     1.0001     3.4641     3.6055 
   C  27    5.5678     6.9283     8.6603     2.0000     5.1962     5.2915 
   C  28    6.2450     7.8103     9.5394     3.0000     6.0828     6.2450 
   C  29    6.0000     7.0000     8.7178     1.7320     5.2915     5.1962 
   C  30    7.2111     8.6603    10.3923     3.6055     6.9282     7.0000 
   C  31    7.0000     7.9373     9.6437     2.6457     6.2450     6.0828 
   C  32    1.0000     3.4641     4.5826     5.2915     3.0000     4.0000 
   C  33    7.5499     8.7178    10.4403     3.4641     7.0000     6.9282 
   H  34    5.7415     3.1408     2.8292     6.8428     4.2100     3.6200 
   H  35    4.7261     3.5458     4.8552     3.3455     2.7519     1.7865 
   H  36    6.7454     4.3808     4.5015     6.6546     4.9111     4.0532 
   H  37    3.1408     3.5192     5.2330     1.7733     1.8396     1.7732 
   H  38    6.3837     4.9367     5.9511     4.4187     4.3962     3.4079 
   H  39    7.2397     5.2634     5.8094     6.0152     5.2588     4.2751 
   H  40    1.7732     1.2347     2.9435     4.2101     0.6201     1.4158 
   H  41    3.1408     5.1927     6.8428     2.8292     3.6200     4.2100 
   H  42    1.8397     4.3433     5.8193     4.0131     3.1408     4.0130 
   H  43    4.4187     6.1648     7.8743     2.2901     4.4726     4.8212 
   H  44    6.1257     7.8743     9.5919     3.3533     6.1648     6.4222 
   H  45    5.7153     6.5242     8.2283     1.2346     4.8399     4.6695 
   H  46    5.8193     3.3533     1.8397     8.3334     5.0104     4.8708 
   H  47    5.9770     3.3533     2.2901     7.8743     4.8212     4.4726 
   H  48    7.6541     9.2024    10.9337     4.2100     7.4716     7.5792 
   H  49    7.3297     8.0774     9.7593     2.8291     6.4221     6.1647 
   H  50    1.1766     3.1995     4.1339     5.7167     3.0634     4.0478 
   H  51    1.6199     4.0130     5.0104     5.7745     3.6200     4.6200 
   H  52    1.1766     3.8121     5.0675     4.9081     3.0634     4.0477 
   H  53    8.1660     9.2900    11.0075     4.0130     7.5792     7.4716 

              N   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    8.8882     0.0000 
   C   9    6.0000     3.6056     0.0000 
   C  10    7.0000     3.0000     1.0000     0.0000 
   C  11    5.5678     3.4641     1.0000     1.7320     0.0000 
   C  12    7.5498     2.0000     1.7320     1.0000     2.0000     0.0000 
   C  13    7.2111     1.7321     2.0000     1.7320     1.7320     1.0000 
   C  14    6.2450     2.6458     1.7320     2.0000     1.0000     1.7320 
   C  15    5.5379     4.6265     1.0417     1.7761     1.7603     2.6903 
   C  16    7.5876     3.6231     1.7761     1.0417     2.6903     1.7603 
   C  17    3.4641     5.5678     3.4641     4.3589     2.6457     4.5826 
   C  18    1.7320     7.2111     4.5826     5.5678     4.0000     6.0000 
   C  19    2.6457     6.2450     3.6055     4.5826     3.0000     5.0000 
   C  20    3.6056     6.0000     4.3589     5.1962     3.4641     5.2915 
   C  21    6.2443     5.0693     1.8001     2.0693     2.7087     3.0693 
   C  22    7.2479     4.6402     2.0693     1.8001     3.0693     2.7087 
   C  23    2.0000     7.5498     5.2915     6.2450     4.5826     6.5574 
   C  24    3.0000     7.0000     5.1962     6.0828     4.3589     6.2450 
   C  25    7.9373     1.0000     3.0000     2.6458     2.6458     1.7321 
   C  26    1.0000     7.9373     5.0000     6.0000     4.5826     6.5574 
   C  27    1.0001     9.6437     6.5574     7.5498     6.2450     8.1854 
   C  28    1.7321    10.5830     7.5498     8.5440     7.2111     9.1652 
   C  29    1.7321     9.5394     6.2450     7.2111     6.0828     7.9373 
   C  30    2.6458    11.3578     8.1854     9.1652     7.9373     9.8489 
   C  31    2.6458    10.3923     7.0000     7.9373     6.9282     8.7178 
   C  32    5.0000     6.2450     5.5677     6.2450     4.5826     6.0828 
   C  33    3.0000    11.2694     7.9373     8.8882     7.8102     9.6437 
   H  34    8.1660     1.7733     2.2901     1.4158     2.6200     0.6200 
   H  35    4.9259     5.0498     1.4559     2.3300     1.8710     3.1811 
   H  36    8.2027     3.5020     2.3300     1.4559     3.1811     1.8710 
   H  37    2.8292     6.1257     3.2069     4.2029     2.7431     4.7206 
   H  38    6.1296     5.6893     2.3594     2.6893     3.2062     3.6893 
   H  39    7.6959     5.0701     2.6893     2.3594     3.6893     3.2062 
   H  40    4.8708     4.2029     2.8292     3.5192     1.8397     3.4849 
   H  41    1.7732     8.1661     5.8808     6.8428     5.1927     7.1725 
   H  42    3.3533     7.3297     5.7415     6.6018     4.8708     6.7056 
   H  43    0.6200     9.0479     6.3328     7.3297     5.8193     7.8169 
   H  44    1.8397    10.7175     7.8169     8.8161     7.4070     9.3864 
   H  45    1.8397     8.9914     5.6520     6.6109     5.5285     7.3542 
   H  46    9.3512     0.6200     4.2100     3.6200     4.0130     2.6200 
   H  47    9.0479     0.6201     3.4849     2.7430     3.5191     1.7732 
   H  48    3.1408    11.9334     8.7923     9.7747     8.5255    10.4482 
   H  49    3.1408    10.4108     6.9386     7.8437     6.9559     8.6686 
   H  50    5.5456     5.8323     5.5055     6.1022     4.5067     5.8449 
   H  51    5.3370     6.7055     6.1809     6.8428     5.1927     6.6486 
   H  52    4.4738     6.6898     5.6972     6.4445     4.7390     6.3723 
   H  53    3.6200    11.7968     8.4157     9.3512     8.3333    10.1333 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    3.0416     2.6799     0.0000 
   C  16    2.6799     3.0416     2.0694     0.0000 
   C  17    4.0000     3.0000     3.6019     5.2402     0.0000 
   C  18    5.5678     4.5826     4.3383     6.2861     1.7320     0.0000 
   C  19    4.5826     3.6055     3.4483     5.3335     1.0000     1.0000 
   C  20    4.5826     3.6056     4.5812     6.1272     1.0001     2.0000 
   C  21    3.6766     3.5321     1.0416     1.8001     4.6207     5.2126 
   C  22    3.5321     3.6766     1.8001     1.0416     5.3518     6.1308 
   C  23    6.0000     5.0000     5.1802     7.0426     2.0000     1.0000 
   C  24    5.5678     4.5826     5.2838     6.9723     1.7321     1.7321 
   C  25    1.0001     1.7321     4.0416     3.4923     4.5826     6.2450 
   C  26    6.2450     5.2915     4.5539     6.5956     2.6457     1.0000 
   C  27    7.9373     7.0000     5.9654     8.0347     4.3589     2.6458 
   C  28    8.8882     7.9373     6.9654     9.0347     5.1962     3.4641 
   C  29    7.8102     6.9282     5.5292     7.5812     4.5826     3.0000 
   C  30    9.6437     8.7178     7.5122     9.5715     6.0828     4.3589 
   C  31    8.6602     7.8102     6.2039     8.2134     5.5677     4.0000 
   C  32    5.1962     4.3589     6.0070     7.2553     2.6458     3.6055 
   C  33    9.5394     8.6602     7.1707     9.1940     6.2450     4.5826 
   H  34    1.4158     2.2901     3.1851     1.8548     5.1927     6.6200 
   H  35    3.3912     2.8620     0.6199     2.6893     3.2037     3.7768 
   H  36    2.8620     3.3912     2.6893     0.6199     5.7817     6.8816 
   H  37    4.4186     3.4849     2.9235     4.8804     1.4157     1.4158 
   H  38    4.2806     4.0814     1.4559     2.3594     4.8642     5.2551 
   H  39    4.0814     4.2806     2.3594     1.4559     5.9431     6.6539 
   H  40    2.7431     1.7733     3.3674     4.5170     1.4158     3.1408 
   H  41    6.6200     5.6200     5.7233     7.6214     2.6200     1.4158 
   H  42    5.9770     5.0104     5.8746     7.5159     2.2901     2.2901 
   H  43    7.4070     6.4222     5.9499     7.9741     3.5191     1.8397 
   H  44    9.0479     8.0774     7.2972     9.3618     5.2330     3.5191 
   H  45    7.2598     6.3988     4.9172     6.9653     4.2029     2.7431 
   H  46    2.2901     3.1408     5.2364     4.2260     5.9770     7.6540 
   H  47    1.8397     2.8292     4.4631     3.2185     5.8193     7.4070 
   H  48   10.2247     9.2900     8.1286    10.1892     6.6018     4.8708 
   H  49    8.6824     7.8742     6.0831     8.0432     5.8193     4.3433 
   H  50    4.9156     4.1517     6.0435     7.1314     2.9083     4.0750 
   H  51    5.7415     4.9340     6.6270     7.8584     3.2380     4.0601 
   H  52    5.5322     4.6403     6.0344     7.4291     2.5121     3.1879 
   H  53   10.0650     9.2024     7.6126     9.6097     6.8428     5.1927 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.7321     0.0000 
   C  21    4.3832     5.6079     0.0000 
   C  22    5.2484     6.3072     1.0416     0.0000 
   C  23    1.7320     1.7321     6.1047     6.9803     0.0000 
   C  24    2.0000     1.0000     6.2775     7.0585     1.0001     0.0000 
   C  25    5.2915     5.0000     4.6536     4.4241     6.5574     6.0000 
   C  26    1.7320     3.0000     5.2946     6.2841     1.7320     2.6458 
   C  27    3.4641     4.5827     6.5462     7.5786     3.0000     4.0001 
   C  28    4.3589     5.2916     7.5373     8.5718     3.6056     4.5827 
   C  29    3.6056     5.0001     5.9796     7.0211     3.6055     4.5826 
   C  30    5.1962     6.2450     7.9795     9.0211     4.5826     5.5678 
   C  31    4.5826     6.0000     6.5282     7.5630     4.5826     5.5678 
   C  32    3.4641     1.7320     7.0486     7.6168     3.0000     2.0000 
   C  33    5.2915     6.5575     7.5217     8.5581     5.0000     6.0000 
   H  34    5.6200     5.8809     3.4191     2.8837     7.1725     6.8428 
   H  35    2.9280     4.2006     1.4558     2.3593     4.6524     4.8308 
   H  36    5.9200     6.6422     2.3593     1.4558     7.6188     7.5119 
   H  37    0.6200     2.2901     3.8180     4.7185     2.2900     2.6200 
   H  38    4.5036     5.8629     0.6201     1.4559     6.1910     6.4582 
   H  39    5.7973     6.9065     1.4559     0.6201     7.5268     7.6398 
   H  40    2.2901     1.8397     4.3981     4.8893     3.3533     2.8292 
   H  41    2.2901     2.2901     6.6201     7.5217     0.6200     1.4158 
   H  42    2.6200     1.4158     6.8768     7.6389     1.4158     0.6200 
   H  43    2.8292     3.4849     6.7093     7.6943     1.7732     2.7431 
   H  44    4.4726     5.2100     7.9269     8.9525     3.4849     4.4187 
   H  45    3.2069     4.7207     5.3596     6.4012     3.4849     4.4187 
   H  46    6.7056     6.3328     5.6893     5.2493     7.9350     7.3297 
   H  47    6.4222     6.3328     4.7876     4.2555     7.8169     7.3297 
   H  48    5.7415     6.7056     8.5995     9.6410     5.0104     5.9770 
   H  49    4.8212     6.3328     6.3120     7.3333     5.0104     5.9770 
   H  50    3.8121     2.1114     7.0804     7.5727     3.5505     2.5557 
   H  51    4.0130     2.2900     7.6686     8.2332     3.3533     2.3715 
   H  52    3.1995     1.5200     7.0713     7.7106     2.4825     1.4955 
   H  53    5.8808     7.1725     7.9028     8.9311     5.6199     6.6200 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    7.0000     0.0000 
   C  27    8.7178     1.7321     0.0000 
   C  28    9.6437     2.6458     1.0000     0.0000 
   C  29    8.6603     2.0000     1.0000     1.7320     0.0000 
   C  30   10.4403     3.4641     1.7320     1.0000     2.0000     0.0000 
   C  31    9.5394     3.0000     1.7320     2.0000     1.0000     1.7320 
   C  32    5.2915     4.5826     6.0000     6.5575     6.5575     7.5499 
   C  33   10.3923     3.6056     2.0000     1.7320     1.7320     1.0000 
   H  34    1.8397     7.1725     8.7923     9.7747     8.5255    10.4482 
   H  35    4.3808     3.9463     5.3454     6.3454     4.9186     6.8974 
   H  36    3.5458     7.2093     8.6546     9.6546     8.1983    10.1897 
   H  37    5.2100     1.8397     3.5192     4.4727     3.4849     5.2330 
   H  38    5.2634     5.2190     6.3398     7.3162     5.6992     7.6908 
   H  39    4.9367     6.7499     7.9696     8.9543     7.3577     9.3524 
   H  40    3.2069     4.0130     5.7415     6.6019     5.8809     7.4716 
   H  41    7.1725     1.8396     2.7431     3.2069     3.4849     4.2029 
   H  42    6.3328     3.1408     4.3434     4.8213     5.0105     5.8193 
   H  43    8.0774     1.4158     1.4158     1.8397     2.2901     2.8292 
   H  44    9.7593     2.8292     1.4158     0.6201     2.2901     1.4158 
   H  45    8.1293     1.7733     1.4158     2.2901     0.6200     2.6200 
   H  46    1.4158     8.4157    10.1334    11.0592    10.0650    11.8552 
   H  47    1.4158     8.0774     9.7593    10.7175     9.5919    11.4562 
   H  48   11.0075     4.0131     2.2901     1.4158     2.6200     0.6200 
   H  49    9.5919     3.3533     2.2900     2.6199     1.4157     2.2900 
   H  50    4.9081     5.0675     6.5443     7.1345     7.0589     8.1225 
   H  51    5.7744     5.0104     6.3328     6.8180     6.9530     7.8169 
   H  52    5.7166     4.1339     5.4719     5.9890     6.0780     6.9853 
   H  53   10.9336     4.2100     2.6199     2.2900     2.2900     1.4157 

              C  31      C  32      C  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    7.5498     0.0000 
   C  33    1.0000     8.0000     0.0000 
   H  34    9.2900     6.6018    10.2247     0.0000 
   H  35    5.6127     5.7199     6.5721     3.7142     0.0000 
   H  36    8.8222     7.6935     9.8051     1.7531     3.3092     0.0000 
   H  37    4.4187     4.0130     5.2100     5.3371     2.3709     5.4812 
   H  38    6.1727     7.3800     7.1719     4.0334     1.6658     2.8788 
   H  39    7.8373     8.2335     8.8368     3.2971     2.8788     1.6658 
   H  40    6.8429     2.7430     7.5792     4.0601     3.2009     4.9739 
   H  41    4.4186     3.3533     4.7206     7.7883     5.1767     8.2038 
   H  42    5.9770     1.7732     6.3328     7.2920     5.4348     8.0424 
   H  43    3.1408     4.7206     3.3533     8.4364     5.3484     8.5835 
   H  44    2.6200     6.3470     2.2901    10.0017     6.6787     9.9802 
   H  45    1.4158     6.3470     2.2901     7.9373     4.3091     7.5819 
   H  46   10.9336     6.4222    11.7968     2.3716     5.6474     4.0749 
   H  47   10.4108     6.7056    11.3139     1.3800     4.9405     3.0199 
   H  48    2.2901     7.9350     1.4158    11.0498     7.5131    10.8077 
   H  49    0.6200     7.9350     1.4158     9.2230     5.5145     8.6421 
   H  50    8.0561     0.6200     8.5425     6.3310     5.8153     7.5324 
   H  51    7.9350     0.6200     8.3273     7.1535     6.3370     8.2875 
   H  52    7.0617     0.6200     7.4695     6.9178     5.6908     7.9001 
   H  53    1.4158     8.6200     0.6200    10.7057     7.0249    10.2151 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    3.9070     0.0000 
   H  39    5.2496     1.6658     0.0000 
   H  40    2.4522     4.8006     5.5084     0.0000 
   H  41    2.8059     6.6709     8.0554     3.9665     0.0000 
   H  42    3.2400     7.0692     8.2259     3.2380     1.6200     0.0000 
   H  43    3.1269     6.6316     8.1649     4.9340     1.3800     3.0000 
   H  44    4.6667     7.7417     9.3605     6.6486     3.0074     4.5826 
   H  45    3.0074     5.0831     6.7400     5.4429     3.4724     4.9004 
   H  46    6.6237     6.3093     5.6667     4.5826     8.5460     7.6200 
   H  47    6.2450     5.4047     4.6384     4.5048     8.4364     7.6953 
   H  48    5.8081     8.3091     9.9712     8.0021     4.5826     6.1810 
   H  49    4.5826     5.9114     7.5652     7.0323     4.9003     6.4201 
   H  50    4.3170     7.4553     8.1926     2.6913     3.9391     2.3825 
   H  51    4.5801     7.9982     8.8504     3.3532     3.6200     2.0000 
   H  52    3.7869     7.3564     8.3206     2.9282     2.7824     1.1752 
   H  53    5.7745     7.5197     9.1778     8.1644     5.3370     6.9507 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    1.7320     0.0000 
   H  45    2.4522     2.8059     0.0000 
   H  46    9.4829    11.1707     9.5271     0.0000 
   H  47    9.2465    10.8857     9.0258     1.0739     0.0000 
   H  48    3.2380     1.6200     3.2400    12.4231    12.0430     0.0000 
   H  49    3.6739     3.2400     1.6199    10.9687    10.3923     2.8059 
   H  50    5.2951     6.9416     6.8152     5.9661     6.3230     8.5209 
   H  51    5.0000     6.5574     6.7833     6.8428     7.1901     8.1660 
   H  52    4.1593     5.7578     5.9069     6.9039     7.1216     7.3548 
   H  53    3.9665     2.8059     2.8059    12.3328    11.8230     1.6199 

              H  49      H  50      H  51      H  52      H  53
              -------------------------------------------------------
   H  49    0.0000 
   H  50    8.4181     0.0000 
   H  51    8.3484     0.8768     0.0000 
   H  52    7.4720     1.2399     0.8768     0.0000 
   H  53    1.6200     9.1621     8.9461     8.0890     0.0000 



ATOMIC CHARGES
   O   1   -0.4932079297
   O   2   -0.2847694760
   O   3   -0.2702856851
   O   4   -0.2698514153
   N   5   -0.2335472555
   N   6   -0.1780515173
   N   7   -0.2815020310
   N   8   -0.3252417446
   C   9    0.0128088836
   C  10   -0.0148529283
   C  11    0.1366984965
   C  12   -0.0380688707
   C  13    0.0858208791
   C  14    0.2182864776
   C  15   -0.0518284555
   C  16   -0.0539410425
   C  17    0.0905369584
   C  18    0.0390479802
   C  19   -0.0234553877
   C  20    0.1425404921
   C  21   -0.0610997418
   C  22   -0.0611646751
   C  23   -0.0460508161
   C  24   -0.0173403552
   C  25    0.2453224882
   C  26    0.2483158386
   C  27    0.0336717390
   C  28   -0.0404685942
   C  29   -0.0404685942
   C  30   -0.0600069101
   C  31   -0.0600069101
   C  32    0.0788763359
   C  33   -0.0616448861
   H  34    0.0632280723
   H  35    0.0624290389
   H  36    0.0623627549
   H  37    0.0645167545
   H  38    0.0617771003
   H  39    0.0617763017
   H  40    0.1745077823
   H  41    0.0626177834
   H  42    0.0654821726
   H  43    0.1551331797
   H  44    0.0636049857
   H  45    0.0636049857
   H  46    0.1452573268
   H  47    0.1452573268
   H  48    0.0618152836
   H  49    0.0618152836
   H  50    0.0659943201
   H  51    0.0659943201
   H  52    0.0659943201
   H  53    0.0617595600


BOND ANGLES
  20    1   32  Car   O3   C3    119.999
   6    5   17   N2  Npl  Car    120.001
   6    5   40   N2  Npl   HC    120.002
  17    5   40  Car  Npl   HC    119.997
   5    6   11  Npl   N2   C2    120.001
  26    7   27   C2  Nam  Car    119.998
  26    7   43   C2  Nam   HC    120.002
  27    7   43  Car  Nam   HC    120.000
  25    8   46   C2  Nam   HC    120.002
  25    8   47   C2  Nam   HC    119.997
  46    8   47   HC  Nam   HC    120.001
  10    9   11  Car  Car   C2    120.001
  10    9   15  Car  Car  Car    120.884
  11    9   15   C2  Car  Car    119.116
   9   10   12  Car  Car   C2    120.001
   9   10   16  Car  Car  Car    120.884
  12   10   16   C2  Car  Car    119.116
   6   11    9   N2   C2  Car    120.001
   6   11   14   N2   C2   C2    120.001
   9   11   14  Car   C2   C2    119.999
  10   12   13  Car   C2   C2    119.999
  10   12   34  Car   C2   HC    120.001
  13   12   34   C2   C2   HC    120.001
  12   13   14   C2   C2   C2    120.001
  12   13   25   C2   C2   C2    120.001
  14   13   25   C2   C2   C2    119.998
   2   14   11   O2   C2   C2    120.001
   2   14   13   O2   C2   C2    119.998
  11   14   13   C2   C2   C2    120.001
   9   15   21  Car  Car  Car    119.554
   9   15   35  Car  Car   HC    120.218
  21   15   35  Car  Car   HC    120.228
  10   16   22  Car  Car  Car    119.554
  10   16   36  Car  Car   HC    120.218
  22   16   36  Car  Car   HC    120.228
   5   17   19  Npl  Car  Car    120.001
   5   17   20  Npl  Car  Car    119.998
  19   17   20  Car  Car  Car    120.001
  19   18   23  Car  Car  Car    120.001
  19   18   26  Car  Car   C2    120.001
  23   18   26  Car  Car   C2    119.999
  17   19   18  Car  Car  Car    120.001
  17   19   37  Car  Car   HC    119.998
  18   19   37  Car  Car   HC    120.002
   1   20   17   O3  Car  Car    120.001
   1   20   24   O3  Car  Car    120.001
  17   20   24  Car  Car  Car    119.998
  15   21   22  Car  Car  Car    119.563
  15   21   38  Car  Car   HC    120.217
  22   21   38  Car  Car   HC    120.221
  16   22   21  Car  Car  Car    119.563
  16   22   39  Car  Car   HC    120.217
  21   22   39  Car  Car   HC    120.221
  18   23   24  Car  Car  Car    120.001
  18   23   41  Car  Car   HC    120.001
  24   23   41  Car  Car   HC    119.998
  20   24   23  Car  Car  Car    119.998
  20   24   42  Car  Car   HC    120.002
  23   24   42  Car  Car   HC    120.000
   3   25    8   O2   C2  Nam    120.001
   3   25   13   O2   C2   C2    120.001
   8   25   13  Nam   C2   C2    119.998
   4   26    7   O2   C2  Nam    119.998
   4   26   18   O2   C2  Car    120.001
   7   26   18  Nam   C2  Car    120.001
   7   27   28  Nam  Car  Car    119.998
   7   27   29  Nam  Car  Car    120.001
  28   27   29  Car  Car  Car    120.001
  27   28   30  Car  Car  Car    120.001
  27   28   44  Car  Car   HC    119.997
  30   28   44  Car  Car   HC    120.002
  27   29   31  Car  Car  Car    119.999
  27   29   45  Car  Car   HC    120.001
  31   29   45  Car  Car   HC    120.001
  28   30   33  Car  Car  Car    119.999
  28   30   48  Car  Car   HC    120.001
  33   30   48  Car  Car   HC    120.001
  29   31   33  Car  Car  Car    120.001
  29   31   49  Car  Car   HC    119.998
  33   31   49  Car  Car   HC    120.002
   1   32   50   O3   C3   HC     90.001
   1   32   51   O3   C3   HC    179.974
   1   32   52   O3   C3   HC     89.999
  50   32   51   HC   C3   HC     90.000
  50   32   52   HC   C3   HC    179.974
  51   32   52   HC   C3   HC     90.000
  30   33   31  Car  Car  Car    120.001
  30   33   53  Car  Car   HC    119.998
  31   33   53  Car  Car   HC    120.002


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