matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1375.mol

Summary

Maintainability
Test Coverage
x1375
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.8830   -4.7330   20.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6650   -4.3420   20.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9650   -3.6760   20.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4060   -4.5010   22.3010 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4790   -4.5310   23.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9460   -3.3500   23.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9740   -3.3910   24.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5070   -4.6060   25.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0720   -5.7830   24.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0420   -5.7470   23.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0360   -4.6990   22.7770 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8790   -4.3370   24.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210   -5.1700   24.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9670   -6.7240   24.1800 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.5820   -7.0890   24.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470   -7.6840   24.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220   -6.1720   22.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5210   -4.6470   25.9920 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410   -3.4420   18.7730 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  5 10  1  0
  9 10  2  0
 11  4  1  1
 11 12  1  0
 12 13  2  0
 14 13  1  1
 14 15  2  0
 14 16  2  0
 11 17  1  0
 14 17  1  0
  8 18  1  0
  3 19  1  0
M  END