matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0376.mol

Summary

Maintainability
Test Coverage
x0376
     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.2650   29.6520   -9.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980   29.8130   -9.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540   30.9450   -8.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810   31.1030   -8.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580   32.3770   -8.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850   33.6150   -8.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   33.5980   -9.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120   33.0570   -8.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3140   31.8250   -7.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8730   28.7750   -9.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590   28.7850  -11.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2400   27.7950  -11.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6450   26.7650  -10.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5110   25.6690  -10.7620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6670   25.0710   -9.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7280   25.6390   -8.6310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1700   26.7490   -9.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730   27.7590   -8.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  3  9  1  0
  8  9  1  0
  2 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 13 17  1  0
 16 17  1  0
 10 18  1  0
 17 18  2  0
M  END