matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11454.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.8420    0.9750   21.2870 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4780   -0.1570   21.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9900   -0.8660   22.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4680   -0.6140   23.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9110    0.3810   23.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2440    0.7630   23.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1610    0.1330   23.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3970   -1.2750   22.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   -0.8950   22.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8720   -1.7380   21.2680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6080   -0.8840   20.8330 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0200   -0.3840   19.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590    0.4910   19.7370 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710    0.8360   18.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4950    0.2180   17.5740 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3160   -0.5360   18.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2440    1.0000   20.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300    1.8620   20.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    2.2390   19.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070    1.7390   18.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  4  1  0
  9  8  2  0
  9  7  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 15 14  2  0
 16 15  1  0
 16 12  2  0
 17 13  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 20 14  1  0
M  END