matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11541.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.4820    0.9530   21.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1380   -0.1910   21.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9880   -0.7520   20.8960 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1120   -0.2230   19.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860    0.3840   20.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400    0.4320   21.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2760    1.0620   22.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    1.6700   21.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8830    1.6470   19.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0830    1.0080   19.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500    0.9830   18.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6960    0.4410   17.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4400   -0.1460   18.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0240   -1.0990   22.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2780   -1.9200   23.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6610   -1.1020   24.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7450   -1.9610   25.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360   -2.9180   23.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870   -3.8610   24.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880   -3.1000   25.5800 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3430   -3.4260   26.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6520   -2.7400   27.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0200   -4.6640   27.3960 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  1  0
  6  5  2  0
  7  6  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  5  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 13  4  2  0
 14  2  1  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 15  1  0
 19 18  1  0
 20 19  1  0
 20 17  1  0
 21 20  1  0
 22 21  2  0
 23 21  1  0
M  END