matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10606.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.6370   -1.4190   23.3910 S   0  0  1  0  0  0  0  0  0  0  0  0
   12.7540    0.4430   23.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8740   -5.3600   25.2320 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2980   -3.5880   26.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1890   -1.2740   22.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6950   -0.3520   23.2340 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -2.6450   27.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8100    0.9630   23.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6410   -4.8480   27.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2550   -0.7250   23.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4230   -1.9580   24.9160 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5870   -2.5370   22.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7640   -3.2290   25.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5580    0.3810   24.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5490   -4.1500   24.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4330   -0.6790   22.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4160   -5.6870   26.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6410   -1.3890   21.3440 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0
  7  4  1  0
  8  2  2  0
  9  4  1  0
 10  1  1  0
 10  5  1  0
  1 11  1  1
 12  1  2  0
 13 11  1  0
 13  4  2  0
 14 10  2  0
 14  8  1  0
 15 13  1  0
 15  3  2  0
 16  5  2  0
 16  2  1  0
 17  9  2  0
 17  3  1  0
 18 16  1  0
M  END