matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11427.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
   11.5320   -4.2200   26.0040 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0450   -3.1780   25.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3830   -2.9110   25.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8950   -1.8830   24.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0650   -1.1430   23.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1890   -2.4600   24.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7030   -1.4080   23.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880   -0.5070   22.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5590   -1.1610   22.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7960   -0.1860   21.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2670    0.9080   21.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5800   -0.6230   20.9430 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990   -0.0030   19.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070    0.6900   20.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200    0.8270   21.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2060   -0.0250   18.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5360    0.5700   17.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4020    1.2050   17.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130    1.2920   19.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  2  1  0
  7  6  2  0
  7  5  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11 10  2  0
 12 10  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 13  1  0
 17 16  2  0
 18 17  1  0
 19 18  2  0
 19 14  1  0
M  END