matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10996.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.3010    1.3240   17.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0550   -1.0240   22.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840    0.6060   17.6000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9240    0.0460   23.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4230   -1.3250   22.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6910   -0.8630   22.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790    1.3680   19.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8550    0.4630   24.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -0.7180   20.9060 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5510   -0.0910   19.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0640    0.7570   20.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5220   -0.2560   21.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4110    0.6430   20.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3490   -0.8420   22.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9850   -0.0870   18.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5710    0.0150   23.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0330   -1.4590   21.5350 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0
  6  5  1  0
  6  4  2  0
  7  1  1  0
  8  4  1  0
 10  9  1  0
 12 11  2  0
 12  9  1  0
 12  2  1  0
 13  7  2  0
 13 10  1  0
 14  2  1  0
 14  5  2  0
 15 10  2  0
 15  3  1  0
 16 14  1  0
 16  8  2  0
 17  6  1  0
M  END