matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0398.mol

Summary

Maintainability
Test Coverage
x0398
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   25.9860  -10.3580    4.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3390  -10.2790    5.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2530  -11.0930    6.0290 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8490  -10.7740    7.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6440  -11.7620    8.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8360  -13.0470    7.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9620  -13.3770    6.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0590  -12.4440    5.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2340  -10.8150    3.9840 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.3230   -9.4530    4.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5990   -8.1590    4.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9250   -7.1070    4.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9730   -7.3300    5.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7030   -8.6250    6.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3830   -9.6910    5.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  3  8  1  0
  7  8  1  0
  1  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 10 15  1  0
 14 15  2  0
M  END