matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11159.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 24  0  0  0  0  0  0  0  0999 V2000
    8.9170    1.3450   21.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4570    0.2610   21.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8130   -0.3900   22.8300 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3260   -0.4460   22.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0840   -1.1160   21.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4670   -1.0460   21.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1140   -0.2970   22.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3870    0.3590   23.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0020    0.2580   23.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600    0.8450   24.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0240    0.3580   25.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    0.3970   23.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5480   -0.4210   20.7340 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0640    0.0010   19.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8030    0.5200   19.3450 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360    0.8710   18.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.6170   17.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7110    0.0510   18.3570 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    0.7670   20.3810 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9780    1.9210   21.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300    1.9740   20.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  7  1  0
  9  4  1  0
  9  8  2  0
 10  9  1  0
 11 10  1  0
 12 11  1  0
 12  3  1  0
 13  2  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17 16  2  0
 18 17  1  0
 18 14  2  0
 19 15  1  6
 20 19  1  0
 21 20  1  0
 21 19  1  0
M  END