matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11346.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.5870    0.8890   21.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2350   -0.2700   21.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8690   -1.4380   21.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8630   -0.9400   22.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1810   -0.6990   22.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0550   -0.0310   23.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4470    0.3220   22.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5950    0.3510   24.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440   -0.5620   24.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2970    0.0880   25.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8170    0.5220   26.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030   -0.6210   20.1470 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5480    0.0260   19.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7650    1.1420   19.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4510    1.7080   20.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2640    1.5710   18.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650    0.8090   17.4390 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4720   -0.1800   17.9840 N   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  1  0
  8  6  2  0
  9  4  1  0
 10  9  2  0
 10  8  1  0
 11 10  1  0
 12  2  1  0
 13 12  1  0
 14 13  1  0
 15 14  1  0
 16 14  1  0
 17 16  2  0
 18 17  1  0
 18 13  2  0
M  END