matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2764.mol

Summary

Maintainability
Test Coverage
x2764
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.5220   -1.2220   21.4650 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2830   -1.3170   20.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5570   -2.2810   21.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9780   -2.0940   22.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5960   -1.3020   22.7170 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3710    1.3060   21.9140 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3470   -1.7460   23.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330    4.4300   22.5060 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4330   -1.5560   22.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7420   -1.6120   24.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7890   -0.1820   20.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8080   -0.4080   18.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1230    0.4360   17.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    1.5000   18.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150    1.7810   19.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1460    0.9700   20.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6640    1.8310   22.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7310    3.2970   22.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3920   -1.2760   24.3750 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  1  4  1  0
  4  7  1  0
  5  9  2  0
  7  9  1  0
  7 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  6 16  1  0
 11 16  1  0
 15 16  2  0
  6 17  1  0
  8 18  3  0
 17 18  1  0
  5 19  1  0
 10 19  1  0
M  END