matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10392.mol

Summary

Maintainability
Test Coverage
x10392
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.7880    0.6240   17.6340 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    0.5880   21.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2270    0.7520   21.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3070   -1.4820   21.1340 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8020    0.5590   20.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6940   -0.8500   20.8930 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1510    1.2690   19.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6700    1.2750   17.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4100   -0.0760   18.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9700   -0.1410   19.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7550   -0.3390   21.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3520   -1.1730   22.6970 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7890   -2.5770   22.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3880   -1.4920   23.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8180   -0.8370   22.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1590    0.1360   23.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4420    0.6560   23.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4140    0.1840   23.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0820   -0.8270   22.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8050   -1.3430   22.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0
  5  7  2  0
  1  8  2  0
  7  8  1  0
  1  9  1  0
  5 10  1  0
  6 10  1  0
  9 10  2  0
  3 11  2  0
  6 11  1  0
 12 11  1  6
 12 13  1  0
 12 14  1  0
 13 14  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  4 19  1  0
 18 19  1  0
 15 20  1  0
 19 20  2  0
M  END