matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1348.mol

Summary

Maintainability
Test Coverage
x1348
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.1600   -3.8020   21.2690 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7360   -4.7000   27.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -4.7760   26.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4690   -5.3920   25.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1210   -4.5680   23.4670 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390   -4.2280   19.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5520   -6.1210   26.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520   -6.7160   25.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2480   -6.6000   24.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720   -5.8720   23.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5990   -4.5630   22.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6620   -3.6640   20.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4670   -2.7730   19.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890   -5.2610   24.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810   -5.5550   22.0270 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9660   -3.5560   18.4270 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  1 11  1  0
  5 11  2  0
  1 12  1  0
  6 12  2  0
 12 13  1  0
  4 14  1  0
  5 14  1  0
 10 14  2  0
 10 15  1  0
 11 15  1  0
 13 16  1  0
M  END