matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10484.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.2450    0.5750   21.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3280    0.1310   21.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0350    0.1400   21.3830 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4710    0.2660   20.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1990    0.0150   18.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8060    0.3960   17.7050 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6450    1.0500   17.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    1.3290   18.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2360    0.9270   19.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790    1.2380   21.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5530   -0.3840   23.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6520   -1.4680   23.3170 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3860   -2.5550   22.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5180   -2.1240   24.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0380   -0.8250   23.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3810    0.2840   23.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6080    0.9090   23.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5140    0.4280   22.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1990   -0.6800   22.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9690   -1.3010   22.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  2  0
  9  4  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  0
 12 13  1  6
 14 12  1  0
 15 12  1  0
 16 15  2  0
 17 16  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 20 15  1  0
M  END