matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10710.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.1660   -3.0910   20.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1010   -1.6800   20.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2270   -0.9100   20.5920 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0060   -1.3340   21.9150 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6450   -0.2280   22.8210 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5850    1.1480   22.1570 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3590    1.4540   21.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5720    1.9340   22.5640 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7430    3.3020   22.7400 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7700    4.0720   23.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8570    5.2600   22.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8110    3.3880   23.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690   -2.0760   22.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -1.2030   22.6250 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6530   -1.2370   22.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5910   -0.3180   22.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2510    0.6090   23.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9690    0.6330   24.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0030   -0.2590   23.6010 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5650   -0.1970   24.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6660   -3.1420   18.7590 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  5  1  0
  6  7  1  6
  8  6  1  0
  9  8  1  0
 10  9  1  0
 11 10  1  0
 12 10  1  0
 13  4  1  0
 14 13  1  6
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 17  1  0
 19 18  1  6
 19 14  1  0
  5 20  1  1
 20 19  1  0
  1 21  1  0
M  END