matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10172.mol

Summary

Maintainability
Test Coverage
x10172
     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.9840   -2.6010   21.3270 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7820   -2.7400   23.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -0.8380   20.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1130   -1.9280   20.9160 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -1.8540   22.5740 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5970   -1.3400   22.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6130   -1.8630   21.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8760   -1.3080   21.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770   -0.2630   22.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1670    0.1980   23.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8900   -0.2990   23.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4510   -2.0280   20.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2380   -2.9310   19.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4590    1.1590   24.5390 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3850   -4.4170   19.5000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  5  2  1  1
  5  6  1  0
  6  7  2  0
  4  8  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  6 11  1  0
 10 11  2  0
  1 12  1  0
  3 12  2  0
 12 13  1  0
 10 14  1  0
 13 15  1  0
M  END