matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0195.mol

Summary

Maintainability
Test Coverage
x0195
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.9310   -0.4260   24.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0810   -0.3760   24.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7170   -1.6060   23.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   -1.4980   22.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6780   -0.3460   22.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9020    0.9860   23.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4540    2.2170   22.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7450    3.4030   22.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4760    3.3390   23.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9240    2.1250   23.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6390    0.9300   23.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5260    4.8390   23.7500 S   0  0  2  0  0  0  0  0  0  0  0  0
   10.0170    4.7610   25.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2830    4.8770   22.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4960    6.2120   23.4820 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
  6 11  2  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  1
M  END