matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0387.mol

Summary

Maintainability
Test Coverage
x0387
     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
    9.2580   -4.2490   27.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1370   -4.8480   26.5470 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3770   -4.6970   25.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6150   -3.2890   25.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5060   -2.7160   24.5490 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6630   -1.5280   24.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0400   -1.1700   23.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9450   -0.0600   24.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1560   -0.0090   23.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1250   -1.1410   22.2750 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6820   -1.8130   22.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2910   -2.8630   25.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0360   -4.2980   25.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  7 11  2  0
 10 11  1  0
  5 12  1  0
  2 13  1  0
 12 13  1  0
M  END