matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2600.mol

Summary

Maintainability
Test Coverage
x2600
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   14.3200   -1.8390   20.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480    0.1410   21.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540    1.0900   21.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9330   -0.5600   22.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2980   -0.3550   21.0510 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4240   -0.4130   22.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4650    0.5840   17.5900 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9360    0.3300   24.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3030    0.4900   24.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1800   -0.0920   23.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6820   -0.8350   22.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5810   -1.3980   21.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3070   -1.0010   22.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5700    0.1510   19.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    0.8810   20.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7820    1.4630   19.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3480    1.2890   17.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0530    0.0230   18.6530 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
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  1 12  3  0
 11 12  1  0
  6 13  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
  7 17  2  0
 16 17  1  0
  7 18  1  0
 14 18  2  0
M  END