matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0390.mol

Summary

Maintainability
Test Coverage
x0390
     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
   22.6610   17.7990    2.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9710   18.3010    3.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1020   19.3760    3.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4340   19.8580    4.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6130   19.2660    6.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4780   18.1860    6.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1510   17.7070    5.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1130   16.5350    5.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6910   15.4450    4.4740 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.5980   14.3300    4.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7370   14.1530    4.9360 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.3350   13.0130    4.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5520   12.3520    4.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9100   11.1690    4.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0860   10.6330    3.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9040   11.2800    2.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5300   12.4870    3.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4640   13.3200    3.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  2  7  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 12 17  1  0
 16 17  2  0
 10 18  1  0
 17 18  1  0
M  END