matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0946.mol

Summary

Maintainability
Test Coverage
x0946
     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
    9.3610    5.1420   22.9680 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4570    1.0970   23.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1970    5.2090   25.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2150    1.1640   23.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5640    6.1580   23.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700    2.4360   24.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3410    3.6240   23.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5890    3.4930   23.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1530    2.2460   22.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2620   -0.6540   22.6860 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.6760    5.1470   23.9490 S   0  0  2  0  0  0  0  0  0  0  0  0
  2  4  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  2  9  1  0
  8  9  2  0
  2 10  1  0
 11  1  1  6
  3 11  2  0
  5 11  2  0
  7 11  1  0
M  END