matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10387.mol

Summary

Maintainability
Test Coverage
x10387
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.5930   -0.5990   21.7730 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1890   -0.9490   22.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7610    1.3360   20.8960 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8930   -1.2630   22.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4580    0.7410   17.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0800    2.5150   23.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330   -0.2600   22.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    1.5480   19.0290 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5400    6.5030   21.8810 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6460    0.1410   21.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5770    4.3590   21.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3910   -0.6370   20.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630   -0.0340   19.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0190   -0.0060   18.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070    1.4730   17.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810    0.7880   19.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2990    1.0230   22.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6220    1.2860   22.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750    3.6880   23.0300 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9540    4.8620   23.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090    5.4490   22.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920    0.2970   22.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1190   -1.9360   22.2760 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0
  1  7  1  0
  4  7  1  0
  1 10  1  0
  3 10  2  0
 10 12  1  0
 12 13  1  0
  5 14  2  0
 13 14  1  0
  5 15  1  0
  8 15  2  0
  8 16  1  0
 13 16  2  0
  7 17  2  0
  6 18  1  0
 17 18  1  0
 19  6  1  6
 11 19  1  0
 19 20  1  0
  9 21  2  0
 11 21  1  0
 20 21  1  0
  2 22  1  0
 18 22  2  0
  2 23  1  0
M  END