matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7cbt.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
   10.4230    4.1820   22.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    3.1320   23.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    1.9110   22.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3410    1.8460   21.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1680    5.0660   22.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770    6.4670   22.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1430    7.2550   22.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120    6.6320   22.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7970    5.2370   21.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9300    4.4520   22.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0860    0.6650   23.4850 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2930   -0.4750   22.6380 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8970   -0.9140   22.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8360   -0.8250   22.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9670   -1.6260   23.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4260   -1.2580   23.6110 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2200   -0.7360   22.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1820   -2.5150   24.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8720   -1.5200   20.7990 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5940   -1.9800   20.2490 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8360   -3.4560   20.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7100   -4.1440   19.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1770   -1.1570   19.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7640    0.3180   19.4400 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5810    0.3170   20.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    1.2210   19.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    1.6660   18.5360 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3460    1.0840   18.2740 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9840    1.3000   17.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  5  1  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 10  5  1  0
 11  3  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 12 15  1  1
 16 15  1  0
 16 17  1  6
 18 16  1  0
 19 13  1  0
 20 19  1  0
 20 21  1  6
 22 21  1  0
 23 20  1  0
 24 23  1  6
 25 24  1  0
 26 25  1  0
 27 26  1  0
 28 27  1  0
 28 24  1  0
 28 29  1  1
M  END