matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10678.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.1260   -2.9200   21.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7620   -3.2770   20.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7320   -3.2730   23.7210 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3550   -0.8580   22.2470 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0650   -1.8410   21.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6270    0.3820   24.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6170   -4.0840   23.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4110   -0.2810   24.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1400   -1.2200   23.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6310   -4.9230   25.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1220   -1.5070   22.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5400   -3.5770   22.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4220   -1.2800   21.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7400   -3.7110   24.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5270   -5.7170   25.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2980   -2.4410   19.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2930   -1.6030   20.7120 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0070   -4.2110   19.9390 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5960    0.1080   23.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7720   -1.8910   23.1110 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5250   -5.3070   24.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7740   -3.3860   18.6720 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  5  1  1  0
  7  3  1  0
  8  6  1  0
  9  8  1  0
 11  9  1  0
 11  4  1  0
 12  1  1  0
 12  7  1  0
  4 13  1  1
 14 10  1  0
  3 14  1  1
 15 10  1  0
 16  2  1  0
 17 13  1  0
 18  2  1  0
 19  6  1  0
 19  4  1  0
 20  5  1  0
 20  9  1  6
 20  3  1  0
 21 15  1  0
 21  7  1  0
 16 22  1  0
M  END