matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11458.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.8390    0.5980   21.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2800   -0.4850   21.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640   -0.9210   20.6420 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5640   -0.2130   19.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280    0.5600   20.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9670    0.6700   21.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8910    1.4540   21.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    2.1600   20.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6260    2.0840   19.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7360    1.2820   19.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    1.1810   17.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2710    0.4670   17.3420 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9190   -0.2030   18.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760   -1.4180   22.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1040   -1.1450   22.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360   -1.4010   22.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4360   -0.8840   22.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4330   -1.1280   21.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2870   -1.3480   20.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6230   -0.0980   23.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5880    0.0960   24.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3270   -0.4270   24.1150 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  1  0
  6  5  2  0
  7  6  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  5  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 13  4  2  0
 14  2  1  0
 15 14  1  0
 16 15  2  0
 17 16  1  0
 18 17  1  0
 19 18  3  0
 20 17  2  0
 21 20  1  0
 22 15  1  0
 22 21  2  0
M  END