matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10355.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.5650    3.1090   21.3900 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5590    2.2400   21.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0870    2.3480   19.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    1.3340   21.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0200    0.4740   21.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5880    0.5300   20.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1290    1.4980   19.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    1.6280   18.1890 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8410    0.8840   17.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4440    1.1730   16.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570   -0.1440   18.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710   -0.3470   19.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490   -1.5480   20.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2920   -2.5150   20.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2140   -1.4920   21.3510 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5680   -2.4540   22.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0420   -2.4850   22.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670   -1.1350   22.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8050   -0.8320   22.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1340    0.4910   23.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0740    1.2720   23.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3270    2.6420   23.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7950   -1.6950   22.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1010   -1.2390   22.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250    0.0580   22.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4490    0.9280   23.0900 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  2  0
  7  3  1  0
  8  7  1  0
  9  8  1  0
 10  9  2  0
 11  9  1  0
 12  6  1  0
 12 11  2  0
 13 12  1  0
 14 13  2  0
 15 13  1  0
 16 15  1  0
 17 16  1  0
 18 17  1  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 22 21  1  0
 23 19  1  0
 24 23  2  0
 25 24  1  0
 26 25  2  0
 26 20  1  0
M  END