matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0540.mol

Summary

Maintainability
Test Coverage
x0540
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.8570    1.4420   24.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950    2.2840   23.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0400    2.4190   22.4600 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740    1.5250   22.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    0.2900   21.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2790    0.4030   20.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -0.3670   19.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350   -0.2560   18.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0990    0.5510   17.6440 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0630    1.2880   18.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090    1.2540   19.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160    3.2270   23.1300 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    3.2690   23.9400 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5050    4.7100   24.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180    4.9620   25.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    4.6450   24.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9280    3.2120   23.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740    2.8570   23.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  6 11  1  0
 10 11  2  0
  2 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 13 18  1  0
 17 18  1  0
M  END