matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11025.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   13.5800   -1.6760   21.4460 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3510   -0.8590   22.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250    0.0880   23.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7450    0.6650   24.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4140    0.3230   23.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0280   -1.2090   22.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0380   -0.5890   22.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5820   -0.7990   22.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2220   -0.0340   21.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9510    0.8380   20.8720 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0360   -0.3980   20.7700 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5900    0.1230   19.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5840    1.0330   19.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7390    1.8300   20.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0700   -0.2400   18.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4010    0.3910   17.3250 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4870    1.1660   17.9800 N   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  2  0
 14 13  1  0
 15 12  1  0
 16 15  2  0
 17 16  1  0
 17 13  1  0
M  END