matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11723.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6550    0.6220   20.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1020   -0.4640   21.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -0.8200   20.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2960   -0.0290   19.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    0.7030   19.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    0.7300   21.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5410    1.4780   18.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610    1.5150   17.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550    0.8350   17.1890 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7520    0.0690   18.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6380   -1.5250   21.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9290   -1.0780   22.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470   -1.5340   22.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3170   -1.1310   22.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   -1.8040   22.1510 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3200   -0.2640   23.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9090   -0.2190   23.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0990    0.1700   24.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1810    1.0120   25.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9830    1.6090   25.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290    0.6560   26.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -0.4810   27.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8350   -1.1190   27.9660 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0300    0.8250   27.1630 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8290   -0.2970   27.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450   -0.5210   28.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  5  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  4  1  0
 11  2  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  1  0
 16 14  2  0
 17 12  1  0
 18 17  2  0
 18 16  1  0
 19 18  1  0
 20 19  1  0
 21 20  1  0
 22 21  1  0
 23 22  1  0
 24 21  2  0
 25 24  1  0
 25 23  2  0
 26 25  1  0
M  END