matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11764.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.4090    0.6560   23.7000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7460    0.2020   23.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -0.4680   22.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1260    0.4830   25.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8160    0.0530   25.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1770    0.3240   26.5220 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8200   -0.0560   26.8870 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7760    1.0060   26.4930 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4280    0.9400   25.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5850    0.6470   27.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1820    0.1760   28.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6380   -0.2000   28.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1580   -0.6330   24.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7870   -0.8820   23.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0350   -1.5360   21.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3820   -0.4830   21.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9220    0.5990   20.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1840   -0.8420   20.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090   -0.1020   19.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170    0.7050   19.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9570    0.8440   21.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9270   -0.1220   18.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3370    0.5850   17.2870 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2820    1.3340   17.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7970    1.4210   18.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  2  1  0
  5  4  2  0
  6  5  1  0
  7  6  1  1
  8  7  1  0
  8  9  1  6
 10  8  1  0
 11 10  1  0
 12  7  1  0
 12 11  1  0
 13  5  1  0
 14 13  2  0
 14  3  1  0
 15 14  1  0
 16 15  1  0
 17 16  2  0
 18 16  1  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 22 19  1  0
 23 22  2  0
 24 23  1  0
 25 24  2  0
 25 20  1  0
M  END