matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6wtt.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
   11.0940    3.7500   23.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9230    3.4840   22.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8790    2.1890   22.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    2.1460   21.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1420    4.7760   23.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6560    5.7560   24.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5980    6.7160   23.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0600    6.7050   22.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5690    5.7440   21.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6280    4.7950   22.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3810    0.9970   22.8860 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4530   -0.2930   22.1700 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0730   -0.6900   21.9370 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2500   -0.2340   22.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1780   -1.3950   22.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6200   -0.9640   23.3860 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4770   -0.5200   22.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3480   -2.0570   24.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7570   -1.4790   20.7850 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3680   -1.9690   20.3790 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3980   -3.4270   19.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1220   -3.8210   19.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930   -1.0160   19.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4470    0.4610   19.7650 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0710    0.7020   20.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310    2.0450   19.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2880    2.2380   18.6310 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3940    1.3680   18.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1640    1.3380   17.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  5  1  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  5  1  0
 10  9  1  0
 11  3  1  0
 12 11  1  0
 13 12  1  0
 13 14  1  6
 12 15  1  1
 16 15  1  0
 16 17  1  6
 18 16  1  0
 19 13  1  0
 20 19  1  0
 20 21  1  6
 22 21  1  0
 23 20  1  0
 24 23  1  6
 25 24  1  0
 26 25  1  0
 27 26  1  0
 28 27  1  0
 28 24  1  0
 29 28  1  0
M  END