matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0786.mol

Summary

Maintainability
Test Coverage
x0786
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.8210   -4.2960   21.9280 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7460   -4.7510   19.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4300   -4.2290   20.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260   -4.3940   20.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -6.6460   23.9200 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300   -7.8410   24.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420   -4.4360   23.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -3.4220   23.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0660   -3.5090   25.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170   -4.5950   25.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2240   -5.6130   24.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0860   -5.5270   23.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970   -6.7860   24.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220   -5.4440   23.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270   -4.7940   24.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230   -7.2690   24.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260   -7.7090   24.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0100   -5.8580   24.2460 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1940   -3.4280   18.7100 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  7 12  1  0
 11 12  2  0
  5 13  1  0
  6 13  2  0
 11 13  1  0
  5 14  1  0
 14 15  1  0
  5 17  1  0
 16 17  1  0
 15 18  1  0
 16 18  1  0
  2 19  1  0
M  END