matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3366.mol

Summary

Maintainability
Test Coverage
x3366
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.9300    0.3390   17.9800 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    0.3070   22.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6690    1.2120   21.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790    0.2800   20.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -0.5700   21.3170 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2400    0.7140   19.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6340   -4.5900   26.2080 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6980    0.7190   18.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9640   -5.2420   24.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7420   -0.0920   18.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3740   -0.1450   20.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3840    0.1200   21.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   -0.5630   22.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830   -1.6200   23.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8080   -1.2610   24.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -2.1760   25.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8390   -3.4820   25.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3230   -5.6000   25.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6740   -3.8830   24.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0980   -2.9450   23.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  1  8  2  0
  6  8  1  0
  1 10  1  0
  4 11  1  0
  5 11  1  0
 10 11  2  0
  3 12  2  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
  7 17  1  0
 16 17  2  0
  7 18  2  0
  9 18  1  0
  9 19  1  0
 17 19  1  0
 14 20  1  0
 19 20  2  0
M  END