matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10247.mol

Summary

Maintainability
Test Coverage
x10247
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.6450    0.7800   17.1810 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9140    0.9390   21.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    0.5550   20.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4710    0.8060   19.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1970   -0.7360   20.4780 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    1.5550   18.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620    1.5240   17.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470    0.0370   18.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6020    0.0190   19.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3810   -0.4620   21.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.5240   22.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0340   -1.0060   22.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8430   -0.2270   23.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250    0.2330   24.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2090   -0.0940   24.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4210   -0.8810   23.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3300   -1.3200   22.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7920   -1.3500   22.8050 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0160   -1.3730   21.4840 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0550   -2.5680   23.2950 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7140   -0.5520   23.2860 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  1  7  2  0
  6  7  1  0
  1  8  1  0
  4  9  1  0
  5  9  1  0
  8  9  2  0
  3 10  2  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 12 17  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  6
 18 20  1  0
 18 21  1  0
M  END