matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0397.mol

Summary

Maintainability
Test Coverage
x0397
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    8.3100   -1.3830   20.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3510   -2.0600   19.9160 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2770   -1.6710   18.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4360   -0.3800   18.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4580    0.0210   19.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9570    1.2150   18.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8580    2.0340   19.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5990    1.5230   17.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5180    0.5660   17.4500 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4640   -3.0930   20.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6920   -3.6350   19.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370   -3.4570   21.8800 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6580   -4.4950   22.4340 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3470   -5.5030   23.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   -5.9190   21.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  4  9  2  0
  8  9  1  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
 13 12  1  6
 13 14  1  0
 13 15  1  0
 14 15  1  0
M  END