matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3348.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.9260   -4.2510   19.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260   -3.1900   19.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770   -2.5170   18.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7680   -2.5780   20.8170 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5860   -1.3760   20.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8620   -1.7560   21.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5610   -2.3740   23.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6560   -3.5350   22.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970   -3.1710   22.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8170   -2.7610   23.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -1.6380   23.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8160   -0.6260   24.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7650    0.3860   24.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7590    0.4030   23.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7940   -0.5890   22.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   -1.6070   22.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5590   -3.4880   25.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0990   -4.7530   25.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7850   -5.4780   26.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9360   -4.9450   27.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090   -3.6810   27.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7240   -2.9520   25.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7050   -3.2750   18.2520 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  4  1  0
  9  8  1  0
 10  7  1  0
 10 11  1  0
 12 11  2  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 11  1  0
 16 15  2  0
 17 10  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 22 21  2  0
 22 17  1  0
  3 23  1  0
M  END