matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6w63.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.1990   -2.5110   21.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6830   -0.0530   21.5290 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9160    0.8930   21.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    2.8720   22.8920 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2800    4.1940   23.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3040    5.2720   23.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250    4.8210   24.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7640    3.4620   24.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8180    2.3720   24.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1980    0.2130   20.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310    1.0250   19.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7010    1.3130   18.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3640    0.7730   17.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8400   -0.3230   19.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4140   -1.5060   22.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4370   -1.3110   23.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -1.4230   24.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250   -1.7420   23.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1860   -1.8620   24.7150 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3980   -0.5520   25.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4060   -2.0830   23.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1190   -3.0300   25.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7840   -1.9390   22.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5660   -1.8260   21.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690   -3.9520   22.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6950   -4.3940   22.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4230   -6.0810   22.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1120   -1.3810   21.8550 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890    1.9160   22.6860 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290   -0.0250   17.7990 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5810   -5.7050   22.9060 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010   -5.0010   21.8550 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1600   -2.2760   21.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8300    0.8180   20.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  6
  5  4  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
  9  4  1  0
 10  2  1  0
 11 10  2  0
 12 11  1  0
 13 12  2  0
 14 10  1  0
 16 15  2  0
 17 16  1  0
 18 17  2  0
 19 18  1  0
 19 20  1  1
 21 19  1  0
 22 19  1  0
 23 18  1  0
 24 23  2  0
 24 15  1  0
 25  1  1  0
 26 25  2  0
 28  2  1  0
 28  1  1  0
 28 15  1  0
 29  3  1  0
  4 29  1  1
 30 13  1  0
 30 14  2  0
 31 27  1  0
 31 26  1  0
 32 27  2  0
 32 25  1  0
 33  1  2  0
 34  3  2  0
M  END