matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2649.mol

Summary

Maintainability
Test Coverage
x2649
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.1570   -0.6380   20.8630 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8970   -1.1300   23.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9550    0.7230   21.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470   -1.7950   21.2040 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7710   -1.2030   22.5990 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4200    0.7070   17.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3130   -0.2790   21.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5240    0.0940   19.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0110    0.0650   18.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3040    1.3920   17.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7540    1.4880   19.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3730    0.8460   20.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8670    1.0350   21.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2370   -0.8930   22.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6110    0.0270   23.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9320    0.4260   23.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9020   -0.0940   23.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5300   -1.0510   22.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2180   -1.4580   22.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  1
  1  7  1  0
  3  7  2  0
  5  7  1  0
  1  8  1  0
  6  9  2  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
  8 12  2  0
 11 12  1  0
 12 13  1  0
  5 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  4 18  1  0
 17 18  1  0
 14 19  1  0
 18 19  2  0
M  END