matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10898.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.5300    0.5620   19.2650 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740   -0.1150   20.8190 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6980    0.4960   17.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870    2.0770   21.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8050    0.0100   23.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1420    0.9090   20.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8210    0.3310   19.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8390    0.6070   24.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6280   -0.7320   22.6700 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7360   -0.2020   23.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2560    1.1280   24.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    0.9380   20.2440 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1000   -0.5330   22.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5070    0.6580   17.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.2300   20.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0880   -1.1490   22.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4170   -0.8620   22.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5530    0.2880   18.4760 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6060    1.0230   24.7890 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4030    0.0070   21.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4970    0.3460   23.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6320   -1.6250   21.4600 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  7  2  1  0
  7  1  1  0
  8  5  2  0
 10  9  1  0
 11 10  1  0
 12  4  1  0
 12  1  1  6
 13  9  1  0
 14  3  2  0
 14  1  1  0
 15 12  1  0
 15  4  1  0
 16 13  1  0
 17 16  2  0
 17  5  1  0
 18  7  2  0
 18  3  1  0
 19 11  1  0
 20  6  2  0
 20  2  1  0
  9 20  1  6
 21 19  1  0
 21 13  2  0
 21  8  1  0
 22 17  1  0
M  END