matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0336.mol

Summary

Maintainability
Test Coverage
x0336
     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.5050  -30.1090   10.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9730  -29.9150    9.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240  -30.8760    8.7810 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480  -28.6050    8.7440 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760  -27.3880    9.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290  -26.2030    9.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810  -25.6270   10.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430  -24.5260   10.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6700  -24.0030    9.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300  -24.5740    8.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9600  -25.6680    8.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5760  -22.5650    9.1500 S   0  0  2  0  0  0  0  0  0  0  0  0
    1.7540  -21.6470   10.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690  -22.9540    9.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8430  -21.7290    7.6910 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  6 11  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  6
M  END