matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11231.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.8580    1.3790   21.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3060    0.3010   21.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7280   -0.6240   22.3880 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1890   -0.0420   23.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2620    0.8040   24.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2170   -0.5120   22.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500    0.3450   23.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7290    0.6660   24.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8040    0.1110   23.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2950   -1.0800   21.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5720   -0.7530   22.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9240   -1.4250   21.4870 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4030   -0.2290   20.3880 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    0.2090   19.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9340    1.3980   19.3220 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7040    1.6190   17.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    0.6780   17.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8180   -0.2370   18.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    2.1910   20.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9700    2.3750   20.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    3.2750   21.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.9820   22.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6010    3.7870   22.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1680    2.8910   21.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  5  4  1  0
  6  3  1  0
  7  6  2  0
  7  5  1  0
  8  7  1  0
  9  8  2  0
 10  6  1  0
 11 10  2  0
 11  9  1  0
 12 11  1  0
 13  2  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17 16  2  0
 18 17  1  0
 18 14  2  0
 19 15  1  0
 20 19  2  0
 21 20  1  0
 22 21  2  0
 23 22  1  0
 24 19  1  0
 24 23  2  0
M  END