matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0161.mol

Summary

Maintainability
Test Coverage
x0161
     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   13.6050   -2.4160   24.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1170   -1.1200   24.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2380   -0.1860   23.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9350   -0.4020   22.6030 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4800    1.1370   23.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2610    1.2070   24.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5870    2.4180   24.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1380    3.5520   23.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3570    3.4780   23.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250    2.2710   23.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2760    5.1400   23.8560 S   0  0  2  0  0  0  0  0  0  0  0  0
   11.1510    6.2430   23.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9860    5.4750   25.2520 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8550    5.1150   22.9090 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  5 10  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  6
M  END