matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1077.mol

Summary

Maintainability
Test Coverage
x1077
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.8820    1.4980   21.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7410    0.5340   21.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2770   -5.8330   25.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5710   -0.6150   22.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1870   -1.7600   22.3390 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8640   -0.5120   23.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5090   -4.0070   25.2600 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7910   -1.6200   24.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4310   -2.8260   24.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060   -2.8180   23.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8720   -5.3270   24.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8860   -5.8360   23.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200   -5.6190   24.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640   -4.7030   26.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6790   -4.1100   26.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  8  2  0
  7  9  1  0
  8  9  1  0
  5 10  1  0
  9 10  2  0
  7 11  1  0
 11 12  1  0
  3 13  1  0
 12 13  1  0
  3 14  1  0
  7 15  1  0
 14 15  1  0
M  END