matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10513.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.1690   -2.8440   21.2720 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4080   -0.8000   22.4070 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2290   -4.9880   24.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100   -1.9500   21.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5410    0.2350   23.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1880   -1.4600   22.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6780   -3.1870   20.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250   -1.1200   23.1580 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2970   -0.1040   24.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -3.8290   23.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2780   -4.6490   25.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4730   -2.7710   18.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4830   -3.3140   22.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1380   -5.3870   25.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110   -3.5000   24.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5830   -1.2520   21.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6160   -3.7570   19.9410 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7620   -1.7800   22.9980 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4970    0.5770   24.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940   -3.0720   23.7610 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9420   -3.4040   18.5120 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0
  5  2  1  0
  6  2  1  0
  7  1  1  0
  8  6  1  6
  9  8  1  0
 10  3  1  0
 12  7  1  0
 13  1  1  0
 13 10  1  0
 14 11  1  0
 14  3  1  0
 15 11  1  0
  2 16  1  1
 17  7  1  0
 18  4  1  6
 18  8  1  0
 19  9  1  0
 19  5  1  0
 20 18  1  0
 20 15  1  1
 20 10  1  0
 12 21  1  0
M  END