matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6xb2.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
   18.2490  -12.9110   -6.0510 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9610  -14.9350   -5.1340 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6340  -14.6410   -5.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9980  -16.9710   -4.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0130  -14.0170   -5.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3850  -16.1090   -4.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9180  -16.1080   -5.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4190  -14.7260   -5.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8480  -13.2600   -5.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0
  5  3  1  0
  5  2  1  0
  6  4  2  0
  6  2  1  0
  7  6  1  0
  7  3  1  0
  8  2  1  0
  9  8  1  0
M  END