matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10395.mol

Summary

Maintainability
Test Coverage
x10395
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.9050   -2.0230   23.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5660   -2.0110   23.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3110    1.0160   21.1020 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2130   -1.4980   21.0410 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7980   -2.8070   23.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -0.6080   21.0130 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -0.6420   22.8400 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7320    0.5290   17.6460 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8080   -0.0040   21.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9360   -0.0700   19.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3670   -0.0940   18.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6030    1.1820   17.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0760    1.2410   19.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7390    0.6120   20.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1950    0.6820   21.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790   -0.4340   22.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3720    0.4850   23.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7090    0.8490   23.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5840    0.2760   22.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1010   -0.6750   22.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7640   -1.0300   22.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  5  1  0
  1  7  1  0
  3  9  2  0
  6  9  1  0
  7  9  1  6
  6 10  1  0
  8 11  2  0
 10 11  1  0
  8 12  1  0
 12 13  2  0
 10 14  2  0
 13 14  1  0
 14 15  1  0
  7 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  4 20  1  0
 19 20  1  0
 16 21  1  0
 20 21  2  0
M  END