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N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazono)methyl]-9-anthryl]methyleneamino]-4,5-dihydro-1H-imidazol-2-amine
N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazono)methyl]-9-anthryl]methyleneamino]-4,5-dihydro-1H-imidazol-2-amine ID: AN-36684
CAS:78186-34-2
Supplier:AN PharmaTech Co Ltd

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SMILES:N1CCN=C1N/N=C/c1c2c(c(c3c1cccc3)/C=N/NC1=NCCN1)cccc2	5351322
FORMULA: C22H22N8
MASS: 398.4637
EXACT MASS: 398.1967427
INTERATOMIC DISTANCES

              N   1      N   2      N   3      N   4      N   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    9.6870     0.0000 
   N   3    2.6766     7.0327     0.0000 
   N   4    7.9669     2.0886     5.2915     0.0000 
   N   5    1.7820     7.9149     1.0000     6.2450     0.0000 
   N   6    8.9141     1.7820     6.2450     1.0000     7.2111     0.0000 
   N   7    1.6180     8.9243     2.0885     7.0328     1.7819     7.9149 
   N   8   10.6429     1.6181     7.9669     2.6766     8.9141     1.7820 
   C   9    4.5981     5.3932     2.0000     3.4641     3.0000     4.3589 
   C  10    5.5796     4.6797     3.0000     2.6458     4.0000     3.4641 
   C  11    5.2445     4.4633     2.6458     3.0000     3.4641     4.0000 
   C  12    6.1232     3.5686     3.4641     2.0000     4.3589     3.0000 
   C  13    4.3965     5.3006     1.7321     3.6055     2.6458     4.5826 
   C  14    6.2695     3.7046     3.6056     1.7320     4.5826     2.6457 
   C  15    3.9605     6.3896     1.7164     4.4034     2.6224     5.2402 
   C  16    6.0296     5.0947     3.6459     3.0072     4.6219     3.6020 
   C  17    5.3493     4.7119     3.0072     3.6460     3.6019     4.6220 
   C  18    7.0203     2.7076     4.4033     1.7165     5.2401     2.6225 
   C  19    7.2316     3.0883     4.5826     1.0000     5.5678     1.7320 
   C  20    3.5129     6.1873     1.0001     4.5826     1.7321     5.5678 
   C  21    4.5500     6.7186     2.6753     4.6477     3.4808     5.3519 
   C  22    5.5773     6.1363     3.5164     4.0488     4.4053     4.6208 
   C  23    6.3472     4.1141     4.0488     3.5164     4.6208     4.4053 
   C  24    7.1198     3.0725     4.6477     2.6753     5.3519     3.4808 
   C  25   10.6584     1.0000     8.0135     3.0608     8.8819     2.5876 
   C  26    1.0000    10.3527     3.3317     8.5367     2.5876     9.4489 
   C  27   11.2076     1.6181     8.5367     3.3317     9.4488     2.5876 
   C  28    1.6180     9.9199     3.0607     8.0134     2.5875     8.8819 
   C  29    1.0000     8.7648     1.7320     7.0000     1.0000     7.9373 
   C  30    9.6766     1.0001     7.0000     1.7320     7.9373     1.0000 
   H  31    3.3409     6.8474     1.2251     4.9112     2.0473     5.7818 
   H  32    6.6496     4.8067     4.2482     2.7519     5.2303     3.2037 
   H  33    4.9029     5.3233     2.7519     4.2483     3.2037     5.2304 
   H  34    7.5561     2.1343     4.9111     1.2252     5.7817     2.0474 
   H  35    7.4192     3.4316     4.8212     1.4158     5.8193     1.8397 
   H  36    3.5833     6.2685     1.4158     4.8212     1.8397     5.8193 
   H  37    4.3798     7.3337     2.8696     5.2588     3.5453     5.9431 
   H  38    5.9852     6.4662     4.0699     4.3962     4.9223     4.8642 
   H  39    6.5348     4.4609     4.3962     4.0699     4.8642     4.9223 
   H  40    7.7034     2.8158     5.2588     2.8696     5.9431     3.5453 
   H  41    1.6116    10.8712     3.8801     9.0174     3.1852     9.9107 
   H  42    1.1202    10.7631     3.7317     8.9963     2.8881     9.9256 
   H  43   10.4719     1.1202     7.8593     3.1769     8.6902     2.8881 
   H  44   11.2229     1.6116     8.5893     3.6807     9.4434     3.1853 
   H  45   11.6794     2.0014     9.0174     3.8801     9.9108     3.1853 
   H  46   11.6722     2.1990     8.9963     3.7317     9.9256     2.8881 
   H  47    2.1989     9.8198     3.1768     7.8593     2.8880     8.6903 
   H  48    2.0014    10.5142     3.6807     8.5893     3.1853     9.4434 
   H  49    0.6200     9.8600     2.9537     8.2210     1.9763     9.1871 
   H  50    9.2176     0.6199     6.5848     1.9696     7.4386     1.9763 
   H  51    1.9172     7.9785     1.4158     6.4222     0.6201     7.4070 
   H  52    9.0669     2.3266     6.4222     1.4158     7.4071     0.6200 

              N   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    9.6871     0.0000 
   C   9    3.5686     6.1232     0.0000 
   C  10    4.4634     5.2445     1.0000     0.0000 
   C  11    4.6797     5.5796     1.7321     2.0000     0.0000 
   C  12    5.3932     4.5981     2.0000     1.7321     1.0000     0.0000 
   C  13    3.7046     6.2695     1.0001     1.7321     1.0000     1.7320 
   C  14    5.3007     4.3964     1.7321     1.0001     1.7320     1.0000 
   C  15    2.7075     7.0204     1.0416     1.7761     2.6799     3.0416 
   C  16    4.7119     5.3494     1.7760     1.0416     3.0415     2.6799 
   C  17    5.0946     6.0297     2.6799     3.0416     1.0416     1.7761 
   C  18    6.3895     3.9606     3.0415     2.6799     1.7760     1.0416 
   C  19    6.1874     3.5128     2.6458     1.7321     2.6457     1.7320 
   C  20    3.0883     7.2316     1.7321     2.6458     1.7320     2.6457 
   C  21    3.0726     7.1198     1.8001     2.0693     3.5322     3.6767 
   C  22    4.1142     6.3472     2.0693     1.8001     3.6767     3.5322 
   C  23    6.1362     5.5773     3.5322     3.6767     1.8001     2.0693 
   C  24    6.7185     4.5500     3.6767     3.5322     2.0693     1.8001 
   C  25    9.9199     1.6181     6.3930     5.6742     5.4210     4.5513 
   C  26    1.6181    11.2077     5.0902     6.0262     5.9717     6.7872 
   C  27   10.3527     1.0000     6.7872     5.9717     6.0262     5.0902 
   C  28    0.9999    10.6584     4.5512     5.4209     5.6742     6.3929 
   C  29    0.9999     9.6766     3.6055     4.5826     4.3589     5.1962 
   C  30    8.7648     1.0000     5.1962     4.3589     4.5826     3.6055 
   H  31    2.1343     7.5561     1.4559     2.3300     2.8621     3.3913 
   H  32    5.3233     4.9029     2.3299     1.4558     3.3912     2.8620 
   H  33    4.8067     6.6497     2.8622     3.3914     1.4559     2.3301 
   H  34    6.8474     3.3409     3.3913     2.8621     2.3300     1.4559 
   H  35    6.2686     3.5833     2.8292     1.8397     3.1408     2.2901 
   H  36    3.4315     7.4192     2.2901     3.1408     1.8397     2.8292 
   H  37    2.8159     7.7034     2.3593     2.6893     4.0814     4.2806 
   H  38    4.4610     6.5348     2.6893     2.3593     4.2806     4.0814 
   H  39    6.4661     5.9852     4.0814     4.2806     2.3593     2.6893 
   H  40    7.3336     4.3798     4.2806     4.0814     2.6893     2.3593 
   H  41    2.0013    11.6793     5.5564     6.4639     6.5258     7.3140 
   H  42    2.1989    11.6722     5.5762     6.5328     6.3388     7.1948 
   H  43    9.8198     2.1990     6.3456     5.7022     5.2293     4.4266 
   H  44   10.5142     2.0015     6.9981     6.2906     5.9793     5.1333 
   H  45   10.8713     1.6117     7.3141     6.5259     6.4640     5.5564 
   H  46   10.7631     1.1202     7.1948     6.3388     6.5328     5.5762 
   H  47    1.1202    10.4720     4.4266     5.2294     5.7022     6.3456 
   H  48    1.6116    11.2230     5.1333     5.9794     6.2906     6.9981 
   H  49    2.2159    10.8886     4.9358     5.9313     5.3971     6.3204 
   H  50    8.5250     2.2160     5.0410     4.4089     3.9749     3.1347 
   H  51    2.3266     9.0669     3.3533     4.3433     3.5191     4.4726 
   H  52    7.9786     1.9171     4.4727     3.5192     4.3433     3.3533 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.0000     0.0000 
   C  15    1.7603     2.6903     0.0000 
   C  16    2.6902     1.7603     2.0693     0.0000 
   C  17    1.7602     2.6902     3.5199     4.0831     0.0000 
   C  18    2.6901     1.7602     4.0831     3.5199     2.0693     0.0000 
   C  19    3.0000     1.0000     3.5081     2.0074     3.5081     2.0073 
   C  20    1.0000     3.0000     2.0073     3.5080     2.0072     3.5080 
   C  21    2.7088     3.0694     1.0417     1.8001     4.4557     4.6913 
   C  22    3.0694     2.7088     1.8002     1.0416     4.6914     4.4557 
   C  23    2.7087     3.0693     4.4557     4.6913     1.0417     1.8001 
   C  24    3.0693     2.7087     4.6914     4.4557     1.8002     1.0416 
   C  25    6.2821     4.7031     7.3893     6.0543     5.5916     3.6496 
   C  26    5.0580     6.8113     4.2992     6.3256     6.1885     7.7349 
   C  27    6.8112     5.0579     7.7349     6.1886     6.3257     4.2992 
   C  28    4.7031     6.2821     3.6494     5.5915     6.0542     7.3891 
   C  29    3.4641     5.2915     2.9654     5.0347     4.5812     6.1271 
   C  30    5.2915     3.4641     6.1272     4.5812     5.0348     2.9655 
   H  31    1.8711     3.1812     0.6200     2.6893     3.5670     4.4240 
   H  32    3.1811     1.8710     2.6893     0.6200     4.4240     3.5670 
   H  33    1.8711     3.1812     3.5671     4.4240     0.6200     2.6893 
   H  34    3.1811     1.8710     4.4240     3.5671     2.6893     0.6200 
   H  35    3.3533     1.4158     3.5613     1.7670     4.0574     2.6272 
   H  36    1.4158     3.3533     2.6272     4.0574     1.7670     3.5612 
   H  37    3.2062     3.6893     1.4559     2.3593     4.9658     5.3015 
   H  38    3.6893     3.2062     2.3594     1.4558     5.3015     4.9658 
   H  39    3.2061     3.6892     4.9658     5.3015     1.4559     2.3593 
   H  40    3.6892     3.2061     5.3015     4.9658     2.3594     1.4558 
   H  41    5.5924     7.2865     4.7078     6.6886     6.7798     8.2789 
   H  42    5.4631     7.2811     4.8351     6.8811     6.4687     8.1127 
   H  43    6.1385     4.7095     7.3652     6.1812     5.2906     3.4570 
   H  44    6.8603     5.3160     7.9994     6.6735     6.0930     4.2035 
   H  45    7.2865     5.5924     8.2790     6.7799     6.6887     4.7079 
   H  46    7.2810     5.4630     8.1128     6.4688     6.8812     4.8352 
   H  47    4.7095     6.1386     3.4570     5.2906     6.1811     7.3652 
   H  48    5.3161     6.8604     4.2035     6.0930     6.6735     7.9994 
   H  49    4.6191     6.5554     4.3915     6.4554     5.3825     7.1665 
   H  50    4.8572     3.4125     6.0609     4.9369     4.1475     2.2001 
   H  51    2.8292     4.8212     3.1225     5.0515     3.4736     5.2758 
   H  52    4.8212     2.8292     5.2759     3.4738     5.0516     3.1225 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    4.0000     0.0000 
   C  21    3.6691     3.0490     0.0000 
   C  22    3.0490     3.6691     1.0416     0.0000 
   C  23    3.6691     3.0489     5.3321     5.4329     0.0000 
   C  24    3.0489     3.6691     5.4329     5.3321     1.0416     0.0000 
   C  25    4.0554     7.1510     7.7047     7.0943     4.9003     3.8704 
   C  26    7.7330     4.2636     4.6841     5.7252     7.2081     7.9243 
   C  27    4.2636     7.7329     7.9243     7.2081     5.7251     4.6840 
   C  28    7.1510     4.0554     3.8703     4.9003     7.0942     7.7046 
   C  29    6.2450     2.6458     3.6024     4.6163     5.6079     6.3072 
   C  30    2.6457     6.2450     6.3072     5.6079     4.6163     3.6024 
   H  31    4.0533     1.7865     1.4560     2.3594     4.5620     4.9253 
   H  32    1.7865     4.0532     2.3593     1.4559     4.9253     4.5619 
   H  33    4.0533     1.7865     4.5621     4.9254     1.4559     2.3594 
   H  34    1.7865     4.0532     4.9253     4.5620     2.3593     1.4558 
   H  35    0.6201     4.3433     3.5421     2.7811     4.2747     3.6688 
   H  36    4.3433     0.6200     3.6688     4.2747     2.7811     3.5421 
   H  37    4.2751     3.4079     0.6200     1.4558     5.8761     6.0219 
   H  38    3.4079     4.2751     1.4558     0.6200     6.0219     5.8761 
   H  39    4.2751     3.4078     5.8761     6.0219     0.6200     1.4558 
   H  40    3.4078     4.2751     6.0219     5.8761     1.4558     0.6200 
   H  41    8.1855     4.8338     4.9853     6.0180     7.8045     8.5013 
   H  42    8.2218     4.6110     5.2715     6.3130     7.4674     8.2358 
   H  43    4.1747     6.9594     7.7610     7.2222     4.5232     3.5194 
   H  44    4.6753     7.7113     8.3239     7.7132     5.3468     4.3354 
   H  45    4.8338     8.1855     8.5014     7.8046     6.0180     4.9854 
   H  46    4.6109     8.2218     8.2358     7.4674     6.3130     5.2715 
   H  47    6.9594     4.1747     3.5194     4.5233     7.2221     7.7610 
   H  48    7.7114     4.6754     4.3355     5.3469     7.7132     8.3238 
   H  49    7.5361     3.6766     5.0560     6.0689     6.3431     7.1766 
   H  50    2.9448     5.7067     6.4733     5.9734     3.5093     2.4684 
   H  51    5.8193     1.8397     4.0349     4.9211     4.4485     5.2656 
   H  52    1.8397     5.8193     5.2656     4.4486     4.9211     4.0348 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26   11.3384     0.0000 
   C  27    1.0000    11.8301     0.0000 
   C  28   10.9163     1.0001    11.3384     0.0000 
   C  29    9.7450     1.6180    10.2644     1.6180     0.0000 
   C  30    1.6181    10.2644     1.6180     9.7450     8.7178     0.0000 
   H  31    7.8468     3.7033     8.2390     3.1034     2.3454     6.6422 
   H  32    5.7334     6.9388     5.7835     6.1913     5.6546     4.2006 
   H  33    6.1913     5.7835     6.9388     5.7333     4.2006     5.6547 
   H  34    3.1035     8.2390     3.7033     7.8468     6.6422     2.3455 
   H  35    4.3522     7.8502     4.4272     7.2035     6.4222     2.8292 
   H  36    7.2035     4.4272     7.8501     4.3521     2.8292     6.4222 
   H  37    8.3178     4.3867     8.5219     3.5053     3.4915     6.9065 
   H  38    7.3986     6.0478     7.4358     5.1705     5.0514     5.8628 
   H  39    5.1705     7.4358     6.0477     7.3985     5.8628     5.0514 
   H  40    3.5053     8.5219     4.3866     8.3178     6.9065     3.4915 
   H  41   11.8616     0.6200    12.3272     1.1202     2.1989    10.7486 
   H  42   11.7407     0.6199    12.2658     1.6116     2.0014    10.7169 
   H  43    0.6201    11.1911     1.6117    10.8194     9.5841     2.0015 
   H  44    0.6200    11.9183     1.1202    11.5118    10.3193     2.1990 
   H  45    1.1202    12.3273     0.6200    11.8616    10.7487     2.1990 
   H  46    1.6116    12.2658     0.6200    11.7407    10.7169     2.0014 
   H  47   10.8195     1.6117    11.1911     0.6200     2.0014     9.5841 
   H  48   11.5119     1.1202    11.9183     0.6201     2.1989    10.3194 
   H  49   10.8158     1.4536    11.4093     2.2159     1.4537     9.9094 
   H  50    1.4537     9.9148     2.2160     9.5241     8.3141     1.4537 
   H  51    8.9242     2.8491     9.5450     3.0317     1.4158     8.0774 
   H  52    3.0317     9.5451     2.8490     8.9242     8.0774     1.4157 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    3.3093     0.0000 
   H  33    3.5056     4.8209     0.0000 
   H  34    4.8209     3.5056     3.3093     0.0000 
   H  35    4.1469     1.3812     4.5784     2.3818     0.0000 
   H  36    2.3816     4.5783     1.3812     4.1469     4.7432     0.0000 
   H  37    1.6658     2.8788     5.0223     5.5440     4.1206     4.0199 
   H  38    2.8788     1.6658     5.5440     5.0223     3.0468     4.8842 
   H  39    5.0222     5.5439     1.6657     2.8787     4.8842     3.0468 
   H  40    5.5439     5.0222     2.8788     1.6657     4.0199     4.1206 
   H  41    4.1341     7.2933     6.3872     8.7691     8.2691     5.0239 
   H  42    4.2280     7.4974     6.0222     8.6373     8.3664     4.7023 
   H  43    7.7872     5.9152     5.8730     2.9733     4.5448     6.9610 
   H  44    8.4503     6.3478     6.6821     3.6793     4.9666     7.7399 
   H  45    8.7692     6.3872     7.2934     4.1342     5.0239     8.2691 
   H  46    8.6373     6.0222     7.4975     4.2280     4.7023     8.3664 
   H  47    2.9733     5.8730     5.9152     7.7872     6.9610     4.5447 
   H  48    3.6793     6.6821     6.3478     8.4503     7.7399     4.9666 
   H  49    3.7736     7.0740     4.8874     7.7259     7.7648     3.6421 
   H  50    6.4838     4.7192     4.7526     1.6789     3.3800     5.7500 
   H  51    2.5831     5.6470     2.9966     5.8477     6.1235     1.7320 
   H  52    5.8478     2.9967     5.6471     2.5832     1.7321     6.1235 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    1.6658     0.0000 
   H  39    6.4035     6.6166     0.0000 
   H  40    6.6166     6.4035     1.6658     0.0000 
   H  41    4.6252     6.2901     8.0432     9.1031     0.0000 
   H  42    4.9928     6.6502     7.6500     8.8216     0.8296     0.0000 
   H  43    8.3794     7.5698     4.7380     3.0882    11.7309    11.5682 
   H  44    8.9373     8.0134     5.5677     3.9164    12.4473    12.3113 
   H  45    9.1031     8.0433     6.2901     4.6252    12.8350    12.7491 
   H  46    8.8216     7.6500     6.6502     4.9928    12.7491    12.7168 
   H  47    3.0882     4.7381     7.5698     8.3794     1.6169     2.2129 
   H  48    3.9165     5.5678     8.0133     8.9373     0.8703     1.6169 
   H  49    4.9273     6.5039     6.4729     7.7408     2.0057     1.3047 
   H  50    7.0927     6.3526     3.8435     2.1959    10.4474    10.3055 
   H  51    4.1371     5.4598     4.6184     5.8329     3.4669     3.0318 
   H  52    5.8330     4.6185     5.4597     4.1370     9.9799    10.0457 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.8297     0.0000 
   H  45    1.6170     0.8704     0.0000 
   H  46    2.2130     1.6170     0.8297     0.0000 
   H  47   10.7574    11.4235    11.7310    11.5682     0.0000 
   H  48   11.4235    12.1099    12.4474    12.3113     0.8297     0.0000 
   H  49   10.5961    11.3655    11.8598    11.8939     2.8093     2.5412 
   H  50    1.3047     2.0058     2.5413     2.8094     9.4550    10.1262 
   H  51    8.6915     9.4667     9.9799    10.0457     3.4011     3.5992 
   H  52    3.4011     3.5992     3.4669     3.0317     8.6915     9.4668 

              H  49      H  50      H  51      H  52
              --------------------------------------------
   H  49    0.0000 
   H  50    9.3660     0.0000 
   H  51    1.9115     7.4719     0.0000 
   H  52    9.3757     2.5802     7.6484     0.0000 



ATOMIC CHARGES
   N   1   -0.2336478531
   N   2   -0.2336478531
   N   3   -0.1278959440
   N   4   -0.1278959440
   N   5   -0.1184508179
   N   6   -0.1184508179
   N   7   -0.1126140695
   N   8   -0.1126140695
   C   9   -0.0079917429
   C  10   -0.0079917429
   C  11   -0.0079917429
   C  12   -0.0079917429
   C  13    0.0112426840
   C  14    0.0112426840
   C  15   -0.0533815966
   C  16   -0.0533815966
   C  17   -0.0533815966
   C  18   -0.0533815966
   C  19    0.0689013223
   C  20    0.0689013223
   C  21   -0.0611474416
   C  22   -0.0611474416
   C  23   -0.0611474416
   C  24   -0.0611474416
   C  25    0.0920181550
   C  26    0.0920181550
   C  27    0.1328891981
   C  28    0.1328891981
   C  29    0.3876769440
   C  30    0.3876769440
   H  31    0.0623807284
   H  32    0.0623807284
   H  33    0.0623807284
   H  34    0.0623807284
   H  35    0.0864983427
   H  36    0.0864983427
   H  37    0.0617765188
   H  38    0.0617765188
   H  39    0.0617765188
   H  40    0.0617765188
   H  41    0.0665132680
   H  42    0.0665132680
   H  43    0.0665132680
   H  44    0.0665132680
   H  45    0.0723002947
   H  46    0.0723002947
   H  47    0.0723002947
   H  48    0.0723002947
   H  49    0.2445755065
   H  50    0.2445755065
   H  51    0.2779064739
   H  52    0.2779064739


BOND ANGLES
  26    1   29   C3  Npl   C+    108.004
  26    1   49   C3  Npl   HC    125.989
  29    1   49   C+  Npl   HC    126.007
  25    2   30   C3  Npl   C+    107.995
  25    2   50   C3  Npl   HC    126.003
  30    2   50   C+  Npl   HC    126.003
   5    3   20  Npl   N2   C2    119.998
   6    4   19  Npl   N2   C2    120.001
   3    5   29   N2  Npl   C+    120.001
   3    5   51   N2  Npl   HC    119.997
  29    5   51   C+  Npl   HC    120.002
   4    6   30   N2  Npl   C+    120.001
   4    6   52   N2  Npl   HC    120.002
  30    6   52   C+  Npl   HC    119.998
  28    7   29   C3   N2   C+    108.001
  27    8   30   C3   N2   C+    107.997
  10    9   13  Car  Car  Car    119.998
  10    9   15  Car  Car  Car    120.886
  13    9   15  Car  Car  Car    119.116
   9   10   14  Car  Car  Car    119.998
   9   10   16  Car  Car  Car    120.882
  14   10   16  Car  Car  Car    119.120
  12   11   13  Car  Car  Car    120.001
  12   11   17  Car  Car  Car    120.886
  13   11   17  Car  Car  Car    119.113
  11   12   14  Car  Car  Car    120.001
  11   12   18  Car  Car  Car    120.882
  14   12   18  Car  Car  Car    119.118
   9   13   11  Car  Car  Car    120.001
   9   13   20  Car  Car   C2    119.998
  11   13   20  Car  Car   C2    120.001
  10   14   12  Car  Car  Car    120.001
  10   14   19  Car  Car   C2    119.998
  12   14   19  Car  Car   C2    120.001
   9   15   21  Car  Car  Car    119.554
   9   15   31  Car  Car   HC    120.221
  21   15   31  Car  Car   HC    120.225
  10   16   22  Car  Car  Car    119.563
  10   16   32  Car  Car   HC    120.216
  22   16   32  Car  Car   HC    120.221
  11   17   23  Car  Car  Car    119.554
  11   17   33  Car  Car   HC    120.230
  23   17   33  Car  Car   HC    120.216
  12   18   24  Car  Car  Car    119.563
  12   18   34  Car  Car   HC    120.226
  24   18   34  Car  Car   HC    120.211
   4   19   14   N2   C2  Car    120.001
   4   19   35   N2   C2   HC    120.002
  14   19   35  Car   C2   HC    119.997
   3   20   13   N2   C2  Car    119.998
   3   20   36   N2   C2   HC    120.000
  13   20   36  Car   C2   HC    120.002
  15   21   22  Car  Car  Car    119.560
  15   21   37  Car  Car   HC    120.215
  22   21   37  Car  Car   HC    120.225
  16   22   21  Car  Car  Car    119.555
  16   22   38  Car  Car   HC    120.220
  21   22   38  Car  Car   HC    120.225
  17   23   24  Car  Car  Car    119.560
  17   23   39  Car  Car   HC    120.215
  24   23   39  Car  Car   HC    120.225
  18   24   23  Car  Car  Car    119.555
  18   24   40  Car  Car   HC    120.220
  23   24   40  Car  Car   HC    120.225
   2   25   27  Npl   C3   C3    108.003
   2   25   43  Npl   C3   HC     83.996
   2   25   44  Npl   C3   HC    167.994
  27   25   43   C3   C3   HC    168.001
  27   25   44   C3   C3   HC     84.003
  43   25   44   HC   C3   HC     83.998
   1   26   28  Npl   C3   C3    107.992
   1   26   41  Npl   C3   HC    168.012
   1   26   42  Npl   C3   HC     84.012
  28   26   41   C3   C3   HC     83.996
  28   26   42   C3   C3   HC    167.996
  41   26   42   HC   C3   HC     84.000
   8   27   25   N2   C3   C3    108.002
   8   27   45   N2   C3   HC    167.997
   8   27   46   N2   C3   HC     83.999
  25   27   45   C3   C3   HC     84.001
  25   27   46   C3   C3   HC    167.999
  45   27   46   HC   C3   HC     83.998
   7   28   26   N2   C3   C3    108.002
   7   28   47   N2   C3   HC     84.006
   7   28   48   N2   C3   HC    168.005
  26   28   47   C3   C3   HC    167.992
  26   28   48   C3   C3   HC     83.993
  47   28   48   HC   C3   HC     83.999
   1   29    5  Npl   C+  Npl    125.999
   1   29    7  Npl   C+   N2    108.001
   5   29    7  Npl   C+   N2    126.000
   2   30    6  Npl   C+  Npl    125.997
   2   30    8  Npl   C+   N2    108.004
   6   30    8  Npl   C+   N2    125.999


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