matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10566.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.8190    0.4980   21.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1070   -0.4330   21.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9420   -0.7700   20.9000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400   -0.0590   19.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8370   -0.1420   18.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3340    0.5590   17.5230 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2910    1.3580   17.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7180    1.4890   19.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2510    0.7900   20.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7270    1.0110   21.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480   -1.2600   22.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6520   -0.6670   23.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9290   -0.9860   22.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0480   -0.3100   23.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4200   -0.6950   22.9100 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5900   -1.3650   21.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8300   -2.1340   22.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8770    0.6990   24.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6160    1.0030   24.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    0.3160   24.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  2  0
  9  4  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  1  1
 16 15  1  0
 17 16  1  0
 17 15  1  0
 18 14  2  0
 19 18  1  0
 20 19  2  0
 20 12  1  0
M  END