matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11499.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.7220    1.1160   21.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4320   -0.0740   21.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750   -1.0160   22.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4370   -0.7590   22.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8210    0.1740   23.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1570    0.5090   23.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1310   -0.0980   23.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4200   -1.3850   21.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7450   -1.0440   22.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9550   -1.8190   21.1510 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7190   -0.6680   20.3880 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6740   -0.1960   19.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6040    0.6110   20.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1520    0.6780   21.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.2910   21.8460 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.9180   20.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    1.9750   19.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870    1.3110   19.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1100    1.1970   17.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910    0.4460   17.3050 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8230   -0.2420   18.1890 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
 17 16  1  0
 18 17  2  0
 18 13  1  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 21 12  2  0
M  END