matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11212.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
   11.8310    0.2370   22.7280 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.2050   -0.1920   21.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0210   -1.4790   21.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8150   -1.8010   20.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -3.0590   20.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4130   -4.1670   20.9930 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2280    0.7840   21.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0150    0.4560   21.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8120   -0.8450   20.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6540   -1.4260   20.1480 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8620   -2.7440   19.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0160   -3.5200   19.4300 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3780   -0.7380   19.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390    0.3470   18.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590    1.3010   18.9000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8440    2.0150   17.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660    1.6050   17.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3680    0.4710   18.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0950   -3.2520   18.4280 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  1  0
  5  6  1  1
  7  2  1  0
  8  7  2  0
  9  8  1  0
  9  4  2  0
 10  9  1  0
 11 10  1  0
 11  5  1  0
 12 11  2  0
 13 10  1  0
 14 13  1  0
 15 14  1  0
 16 15  2  0
 17 16  1  0
 18 14  2  0
 18 17  1  0
  5 19  1  0
M  END