matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10237.mol

Summary

Maintainability
Test Coverage
x10237
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.4010   -0.7270   22.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0580   -0.8220   22.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8290   -5.5880   26.5230 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2560   -1.6780   21.1590 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4610    0.1510   22.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7760   -3.4670   24.8640 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3530    0.8670   20.8100 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000    0.7810   23.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6070   -0.5860   20.9250 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1610    0.4390   23.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7410    0.5940   17.5560 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7760   -0.5270   22.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7330   -1.1670   21.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -1.5240   23.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -2.8990   23.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6360   -4.6110   25.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2050   -5.1880   26.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9810   -4.4760   26.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3530   -3.8710   24.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7990   -0.0890   21.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    0.0100   19.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7110    0.7370   20.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    1.3880   19.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6240    1.2820   17.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380   -0.0310   18.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  2  5  2  0
  5  8  1  0
  8 10  2  0
  1 12  1  0
 10 12  1  0
  2 13  1  0
 12 13  2  0
  1 14  1  0
  6 15  1  0
 14 15  1  0
  6 16  1  0
  3 17  1  0
 16 17  1  0
  3 18  1  0
  6 19  1  0
 18 19  1  0
  1 20  1  0
  7 20  2  0
  9 20  1  0
  9 21  1  0
 21 22  1  0
 22 23  2  0
 11 24  2  0
 23 24  1  0
 11 25  1  0
 21 25  2  0
M  END