matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10976.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.7920   -1.7850   21.2310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5780   -1.0370   22.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9600   -0.1340   23.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9840    0.4050   24.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6500    0.0720   23.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570   -1.3860   22.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2730   -0.8140   22.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8160   -1.0990   22.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3650   -0.2930   21.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460    0.7310   21.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690   -0.7650   20.7330 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5460   -0.1030   19.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.1340   18.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3060    0.5460   17.4230 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2540    1.2960   17.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4520    0.6860   20.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    1.4150   19.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6170    2.3040   19.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  2  1  0
  7  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  1  0
 10  9  2  0
 11  9  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  2  0
 16 12  1  0
 17 15  1  0
 17 16  2  0
 18 17  1  0
M  END