matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x12025.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0650    0.6960   25.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2770    1.5570   24.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4590    1.6030   23.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3600    2.5520   24.1680 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5230    3.5820   23.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6940    3.6240   22.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550    4.6530   21.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    5.6110   21.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7270    5.5770   22.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    4.5710   23.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6870    2.5700   22.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9340    2.4870   21.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9020    1.9790   20.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0650    2.9780   22.3560 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4160    3.7950   23.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3380    3.2340   21.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7430    4.1670   22.8280 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9140    5.5710   22.5030 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7070    6.5680   23.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7760    7.5620   23.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0970    7.3530   21.9400 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7540    7.8150   21.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4230    6.6420   24.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2220    7.7140   25.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3230    8.7110   25.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5810    8.6370   23.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  5  1  0
 11  6  1  0
 11  3  2  0
 12 11  1  0
 13 12  2  0
 14 12  1  0
 15 14  1  0
 16 14  1  0
 17 15  1  0
 17 16  1  0
 17 18  1  6
 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 20  1  0
 26 25  2  0
M  END