matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10575.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
    6.6040    0.3150   17.7860 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7910    0.7080   20.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7810   -1.6960   23.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2080   -0.0310   22.6410 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0070    1.1290   19.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500    0.2690   21.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0020    0.0520   20.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3590   -0.1120   18.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9130    0.0820   23.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5260   -2.0250   22.9650 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0580   -1.0510   21.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4410   -1.3280   24.2570 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3710    0.9930   21.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8430   -0.3920   21.1890 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250    1.3170   21.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7210   -0.3830   22.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    0.9140   18.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  0
  7  2  2  0
  8  7  1  0
  8  1  2  0
  9  4  1  0
 10  3  1  6
 11 10  1  0
 11  4  1  0
 12 10  1  0
 12  9  1  6
 12  3  1  0
 13  2  1  0
 14  7  1  0
 14  6  1  0
 15  6  2  0
 16  6  1  0
  4 16  1  1
 17  5  2  0
 17  1  1  0
M  END