matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3080.mol

Summary

Maintainability
Test Coverage
x3080
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.6410   -0.3040   23.8790 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4370   -0.2340   24.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5220    0.9180   21.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5330   -0.9770   22.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7420   -0.5090   21.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7700    0.8250   25.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9430   -0.0920   21.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6980    0.5360   17.6460 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8970    0.6160   23.5490 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    0.0650   19.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7210   -2.5480   25.5280 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030    0.0300   18.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5210    1.1020   17.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0120    1.1900   19.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7390    0.6690   20.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    0.7740   21.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8340   -1.4580   25.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2020   -1.4890   25.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8890   -2.5770   25.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2200   -3.6450   26.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8050   -3.6760   26.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0410   -4.7980   26.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6820   -4.7730   26.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0720   -3.6330   25.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0850   -2.5620   25.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0690    0.0580   24.5720 S   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  3  7  2  0
  4  7  1  0
  5  7  1  0
  5 10  1  0
  8 12  2  0
 10 12  1  0
  8 13  1  0
 13 14  2  0
 10 15  2  0
 14 15  1  0
 15 16  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 11 24  2  0
 23 24  1  0
 11 25  1  0
 17 25  2  0
 21 25  1  0
 26  1  1  6
  6 26  2  0
  9 26  2  0
 17 26  1  0
M  END