matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1311.mol

Summary

Maintainability
Test Coverage
x1311
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.7010   -3.9740   20.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340   -4.2270   20.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0540   -3.9260   20.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330   -4.8000   22.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4770   -4.8740   23.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -5.8420   22.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4480   -5.9180   23.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4240   -5.0610   25.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4270   -4.1190   25.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4530   -4.0190   24.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210   -5.3420   22.3650 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0450   -6.8270   22.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0240   -7.4040   22.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7400   -6.6360   24.2140 S   0  0  2  0  0  0  0  0  0  0  0  0
    4.3110   -7.4240   25.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3580   -6.2580   24.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7580   -5.2190   23.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1840   -3.5200   18.6200 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  5 10  1  0
  9 10  2  0
 11  4  1  1
 11 12  1  0
 12 13  2  0
 14 13  1  6
 14 15  2  0
 14 16  2  0
 11 17  1  0
 14 17  1  0
  3 18  1  0
M  END