matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1235.mol

Summary

Maintainability
Test Coverage
x1235
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   22.4550  -22.5870   19.7190 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8830  -19.9870   19.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7840  -20.8160   20.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5530  -21.8820   19.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0880  -25.0510   17.3490 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2310  -22.1270   18.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0060  -23.7180   19.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2640  -25.9050   18.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8760  -27.3260   18.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5070  -23.7720   17.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3150  -22.6730   16.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7660  -21.4600   17.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5020  -20.4410   16.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7890  -20.6310   14.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3490  -21.8430   14.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6160  -22.8660   15.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9570  -25.2620   19.8010 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  1  4  1  0
  3  4  1  0
  4  6  2  0
  1  7  1  0
  5  8  2  0
  8  9  1  0
  5 10  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 11 16  1  0
 15 16  2  0
  7 17  1  0
  8 17  1  0
M  END