matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0692.mol

Summary

Maintainability
Test Coverage
x0692
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.2960   -2.1390   23.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    2.2310   24.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520   -4.1530   19.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3290    0.8440   24.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510   -2.5000   20.8350 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5090    0.5110   23.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7190   -0.7630   22.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7450   -1.7320   23.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5660   -1.4370   23.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4800   -2.4690   23.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4380   -3.3150   22.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2240   -2.9930   22.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4630   -1.2950   20.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6780   -1.6060   21.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3530   -3.1470   19.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710   -2.6350   18.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3660   -0.1430   24.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6770   -3.2470   18.3180 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  1 10  1  0
  9 10  1  0
  1 11  1  0
  5 12  1  0
 11 12  1  0
  5 13  1  0
  1 14  1  0
 13 14  1  0
  3 15  2  0
  5 15  1  0
 15 16  1  0
  4 17  1  0
  9 17  2  0
 16 18  1  0
M  END