matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2646.mol

Summary

Maintainability
Test Coverage
x2646
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.5100    0.6470   17.5540 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.9620   21.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9770    0.8310   21.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7360   -1.7550   21.2420 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    0.8500   20.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1880   -0.5570   20.9610 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    1.5300   19.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4290    1.4000   17.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0360   -0.0150   18.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5220    0.0620   19.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3480   -0.1310   21.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8100   -0.9180   22.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2820   -0.7040   22.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7150    0.1530   23.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0560    0.4800   24.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9930   -0.0690   23.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5640   -0.9660   22.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -1.2810   22.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0
  5  7  2  0
  1  8  2  0
  7  8  1  0
  1  9  1  0
  5 10  1  0
  6 10  1  0
  9 10  2  0
  3 11  2  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  4 17  1  0
 16 17  1  0
 13 18  1  0
 17 18  2  0
M  END