matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10800.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.4300    0.0840   21.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -0.7620   22.5820 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8720   -2.0390   24.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9640    0.3500   19.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9830    0.5600   25.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4290   -1.7930   23.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    1.0960   19.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010   -0.8770   23.4880 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4110    1.2820   24.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7520    0.1740   18.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590    1.4630   17.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8570   -2.9340   25.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4690   -0.9070   23.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4860    0.5320   23.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6400   -2.8110   24.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6780   -1.0260   23.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120   -1.5910   24.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7290   -0.0360   21.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4640    0.7130   17.4190 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6770    0.5190   20.8880 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1230   -1.6860   22.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010    1.6760   18.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4720   -0.7450   25.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0
  7  4  2  0
  8  2  1  0
  9  5  1  0
 10  4  1  0
 12  3  2  0
 13  6  1  0
 14  9  1  0
 14  8  1  0
 15 12  1  0
 15  6  2  0
 16 13  2  0
 16  3  1  0
 17  8  1  0
 18  1  1  0
 18  2  1  0
 19 11  1  0
 19 10  2  0
 20 18  2  0
  8 21  1  6
 21  6  1  0
 22 11  2  0
 22  7  1  0
 23 17  1  0
 23  5  1  0
M  END