matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11204.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   10.7060   -0.4720   23.3430 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.1160   -1.3710   22.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1560   -2.2500   21.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230   -2.9970   21.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -4.1100   20.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -5.2310   21.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3160   -4.3810   20.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6640   -5.1880   20.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8610   -3.6350   21.7050 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8560   -2.8290   22.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720   -1.1840   23.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8240   -1.9210   23.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6440   -1.7290   24.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -2.4080   24.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8300   -0.7260   25.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7840   -0.5140   26.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3210   -3.5780   18.7750 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  5  1  0
  8  7  2  0
  9  7  1  0
 10  9  1  0
 10  4  2  0
 11  2  1  0
 12 11  2  0
 12 10  1  0
 13 12  1  0
 14 13  2  0
 15 13  1  0
 16 15  1  0
  5 17  1  0
M  END