matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1382.mol

Summary

Maintainability
Test Coverage
x1382
     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   13.8370   -1.8970   21.3180 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7570   -1.2780   23.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230   -2.0530   22.9330 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5700   -2.5200   21.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2180   -1.7390   20.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -0.5060   20.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8790   -2.4090   19.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2530   -1.3160   22.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4710   -0.1710   23.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7100    0.4450   23.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7570   -0.0750   22.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5410   -1.2140   22.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3140   -1.8320   22.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2490   -4.1200   19.3920 R   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  1 12  1  0
 11 12  1  0
  8 13  1  0
 12 13  2  0
  7 14  1  0
M  END