matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10396.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.7020   -2.2040   22.4690 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8170    0.2440   23.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980    0.6180   17.5410 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6730   -0.9820   22.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4260    0.8570   20.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1050   -0.0670   23.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160    1.0410   21.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3920   -0.6500   22.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8040    1.4980   19.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4080   -0.0750   21.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2710   -0.5450   20.9300 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    0.9180   21.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5580    0.0770   19.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -0.8810   22.6970 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9960   -0.0120   18.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1640    0.5350   24.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3380   -1.2880   22.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3160    1.3540   17.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1690   -0.5630   23.7860 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8430   -1.7900   21.3170 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  6  4  1  0
  7  5  1  0
  8  2  2  0
  9  5  1  0
 11 10  1  0
 12 10  2  0
 13  5  2  0
 13 11  1  0
 14 10  1  0
 14  8  1  0
 14  1  1  6
 15 13  1  0
 15  3  2  0
 16  2  1  0
 16  6  2  0
 17  8  1  0
 17  4  2  0
 18  9  2  0
 18  3  1  0
 19 14  1  0
 20  4  1  0
M  END