matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2908.mol

Summary

Maintainability
Test Coverage
x2908
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.3900    0.5890   17.3970 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8630    1.0210   21.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9610    0.9270   20.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8830   -1.6060   21.4760 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    0.7930   20.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2330   -0.5590   20.7970 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190    1.3820   18.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9570   -0.7920   22.2880 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2610    1.2610   17.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0070   -0.0010   18.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370    0.0640   19.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4200   -0.0690   21.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2620   -0.5750   22.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5470    0.4050   23.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8630    0.7630   23.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8990    0.1510   23.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5950   -0.8370   22.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2950   -1.2210   22.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0
  5  7  2  0
  1  9  2  0
  7  9  1  0
  1 10  1  0
  5 11  1  0
  6 11  1  0
 10 11  2  0
  3 12  2  0
  6 12  1  0
  8 12  1  0
  8 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  4 17  1  0
 16 17  1  0
 13 18  1  0
 17 18  2  0
M  END