matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0830.mol

Summary

Maintainability
Test Coverage
x0830
     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.8300   -2.1930   20.8050 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960   -3.0490   19.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350   -3.4080   19.1080 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -2.9000   19.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7450   -2.1190   22.9570 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820   -1.0850   20.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0470   -1.4750   21.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9780   -2.4580   23.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610   -1.4250   23.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0820   -1.6350   22.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0840   -0.6740   22.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0440    0.5100   23.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0010    0.7930   23.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9390    2.0260   24.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9260    2.2910   25.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9350    1.3330   25.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9620    0.1330   25.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9910   -0.1830   24.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9280   -3.3070   22.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220   -2.9380   22.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9960   -3.2760   17.5100 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  6  1  0
  5  7  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  9 18  1  0
 13 18  2  0
 17 18  1  0
  5 19  1  0
  1 20  1  0
 19 20  1  0
  2 21  1  0
M  END