matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6m0k.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 34 37  0  0  0  0  0  0  0  0999 V2000
    9.2120    1.7660   22.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0470    6.9430   25.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8650    7.5430   24.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8270    6.7570   23.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9740    5.3490   23.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1530    4.7630   24.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1930    5.5650   25.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630    3.3610   24.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    3.1630   23.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9720    4.3500   22.5160 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0530    1.6850   21.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5140    0.5390   23.1410 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6240   -0.7690   22.4640 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2660   -1.3580   22.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210   -1.4650   22.9490 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4630   -1.6660   23.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7950   -0.9290   23.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0440   -0.1620   24.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7360   -1.0030   22.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2480    0.5130   24.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1900    0.4290   23.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9380   -0.3270   22.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5080    1.2600   25.8500 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1640    0.8170   17.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6690    0.8990   18.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.8180   18.5590 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2900    1.5900   19.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1080    0.1450   20.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0680    0.0770   19.4750 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3410   -1.5240   19.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8030   -2.3510   20.3060 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0430   -1.7710   20.7630 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9690   -3.7960   19.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.4230   19.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  7  2  1  0
  8  6  1  0
  9  8  2  0
  9  1  1  0
 10  9  1  0
 10  5  1  0
 11  1  2  0
 12  1  1  0
 13 12  1  0
 14 13  1  0
 15 14  2  0
 13 16  1  1
 17 16  1  0
 18 17  2  0
 19 17  1  0
 20 18  1  0
 21 20  2  0
 22 21  1  0
 22 19  2  0
 23 20  1  0
 25 24  2  0
 26 25  1  0
 27 26  1  0
 28 27  1  0
 29 28  1  0
 29 25  1  0
 29 30  1  6
 31 30  1  6
 32 31  1  0
 32 14  1  0
 33 31  1  0
 34 33  2  0
M  END