matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10756.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.5180    0.4830   17.5430 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    4.6810   22.9300 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6360    0.5760   20.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5740    0.3590   22.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7980    2.4360   23.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9110   -0.4980   22.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    1.1740   19.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2660    0.7130   23.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -0.0560   21.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270   -0.0880   19.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2140   -0.1090   18.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5550    3.3910   22.4830 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2270   -0.8640   21.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9060   -1.2860   22.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5830    1.1460   23.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8830    4.1220   22.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1820    0.7030   21.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6380   -0.6520   20.8700 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1030    1.0660   21.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2840    6.5890   22.4460 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4530   -0.8830   22.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3850    1.1080   17.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0780    5.3820   22.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  3  1  0
  8  6  1  0
 10  3  2  0
 11 10  1  0
 11  1  2  0
 12  5  1  1
 12  2  1  0
 13  4  2  0
 14 13  1  0
 14  6  2  0
 15  8  2  0
 15  5  1  0
 15  4  1  0
 16 12  1  0
 17  3  1  0
 18 10  1  0
 18  9  1  0
 19  9  2  0
 21  9  1  0
 21  6  1  0
 22  7  2  0
 22  1  1  0
 23 16  1  0
 23  2  1  0
 23 20  2  0
M  END