matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0967.mol

Summary

Maintainability
Test Coverage
x0967
     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.8890   22.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9230    2.5040   22.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2460    3.3020   23.6580 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240    3.5100   22.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -0.9340   22.6120 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6880    0.7520   16.8910 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7930    1.1340   22.9030 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8320    0.9390   21.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620    0.4910   22.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250    0.5500   20.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3420    1.4670   20.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1440    1.5440   19.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8390    0.6890   18.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7270   -0.2260   18.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9100   -0.2910   20.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9840    0.3670   22.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9210   -1.8160   21.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3010   -1.6090   22.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4400   -1.6500   22.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1350   -1.9620   23.6300 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  2  7  1  0
  7  9  1  6
  9 10  1  0
 10 11  2  0
 11 12  1  0
  6 13  1  0
 12 13  2  0
 13 14  1  0
 10 15  1  0
 14 15  2  0
  5 16  1  0
  7 16  1  0
  8 16  2  0
  5 17  1  0
 17 18  1  0
 18 19  3  0
 19 20  1  0
M  END