matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2563.mol

Summary

Maintainability
Test Coverage
x2563
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.1270    0.7300   17.2470 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6280   -0.1320   21.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8160    1.0610   20.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6180   -0.9550   20.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2490   -0.8070   22.0620 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900   -0.1310   19.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870    0.0080   18.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0930    1.3750   17.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510    1.3420   19.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    2.0510   19.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740    1.9820   21.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700    1.2260   21.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2400    0.5270   21.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5700    0.5600   19.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0490   -0.2310   23.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3880    0.0580   22.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1050    0.8140   23.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5010    1.2710   24.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1800    0.9650   25.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4510    0.2090   24.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  4  6  1  0
  1  7  2  0
  6  7  1  0
  1  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  6 14  2  0
  9 14  1  0
 13 14  1  0
  5 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 15 20  1  0
 19 20  2  0
M  END