matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1237.mol

Summary

Maintainability
Test Coverage
x1237
     RDKit          3D

 14 15  0  0  0  0  0  0  0  0999 V2000
   14.4620  -25.9430    4.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8800  -25.6060    7.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0820  -27.8860    7.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0290  -27.5880    5.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7180  -28.1150    4.5620 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4800  -27.4680    7.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7550  -27.1980    4.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1720  -26.0440    3.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3420  -25.0410    3.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0790  -25.4140    2.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6240  -26.7540    2.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4160  -27.7480    3.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7030  -27.3820    3.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1320  -27.2430    7.2000 S   0  0  1  0  0  0  0  0  0  0  0  0
  1  7  2  0
  4  7  1  0
  5  7  1  0
  1  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
  5 13  1  0
  8 13  1  0
 12 13  2  0
 14  2  1  6
  3 14  2  0
  4 14  1  0
  6 14  2  0
M  END