matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3108.mol

Summary

Maintainability
Test Coverage
x3108
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.7570    0.2050   17.9540 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8850    1.4350   21.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7590    1.7080   21.2260 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1940    0.9730   20.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2930   -0.0270   21.3300 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0650    0.1590   25.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3080    1.2380   19.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3700   -0.9380   23.6740 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6260    0.8390   18.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0030   -4.9740   24.3620 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6140   -0.0600   18.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3860    0.2930   20.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3330    0.7110   21.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9560    0.2520   23.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3530   -0.8700   24.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5260   -2.1320   24.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3440   -3.3570   25.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2110   -3.9980   26.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9730   -5.1150   26.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8540   -5.5630   25.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2520   -3.8920   24.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  7  2  0
  1  9  2  0
  7  9  1  0
  1 11  1  0
  4 12  1  0
  5 12  1  0
 11 12  2  0
  3 13  2  0
  5 13  1  0
  8 14  1  0
 13 14  1  0
  6 15  2  0
  8 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 10 20  2  0
 19 20  1  0
 10 21  1  0
 17 21  2  0
M  END