matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11473.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   13.5630   -1.8070   21.3990 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3640   -0.9320   22.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7720    0.0400   23.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8120    0.6980   23.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4690    0.3970   23.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0270   -1.2450   22.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0600   -0.5630   22.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900   -0.7810   22.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -0.0020   21.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7740    1.0220   21.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1120   -0.5070   20.6680 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    0.0350   19.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520    0.9890   19.3570 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700    1.7090   20.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0680   -0.2510   18.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    0.4920   17.3040 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150    1.2070   18.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  2  1  0
  7  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  1  0
 10  9  2  0
 11  9  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 15 12  2  0
 16 15  1  0
 17 16  2  0
 17 13  1  0
M  END