matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10801.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.1360    0.8800   20.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5270   -0.0640   21.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9770   -0.7240   22.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3260   -1.4250   22.6360 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5900   -0.5710   22.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3020   -1.2560   23.5620 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3370   -0.7060   24.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6580   -1.8840   23.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490   -1.8530   23.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840   -0.5590   20.9540 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6470    0.0050   19.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4890    0.7520   20.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9900    0.9580   21.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0680   -0.1200   18.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4230    0.4380   17.5360 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3180    1.1420   17.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    1.3250   19.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  1
  5  4  1  0
  6  5  1  6
  7  6  1  0
  8  7  1  0
  8  6  1  0
  9  4  1  0
  9  6  1  0
 10  2  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 11  1  0
 15 14  2  0
 16 15  1  0
 17 16  2  0
 17 12  1  0
M  END