matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10466.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.8630    0.9240   21.1580 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   -0.2020   21.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9020   -0.8460   22.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3790   -0.6430   23.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8310    0.3000   23.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1670    0.6670   23.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0790    0.0760   23.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3040   -1.2780   22.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6320   -0.9080   22.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7740   -1.7250   21.2130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6600   -0.9440   20.7110 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960   -0.3420   19.6490 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8120    0.3840   19.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5970    0.8590   18.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960    0.3930   17.5880 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3960   -0.3050   18.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0470    0.8060   20.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0330    1.7250   20.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970    2.2030   19.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    1.7750   18.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  4  1  0
  9  8  2  0
  9  7  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 15  2  0
 16 12  1  0
 17 13  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 20 14  1  0
M  END