matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11790.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.1500    0.9950   21.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7900   -0.0410   21.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7860   -0.9510   20.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9310   -0.2210   19.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7910    0.5260   20.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    0.6490   21.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2950    1.4050   22.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5700    2.0780   21.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    1.9820   19.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0300    1.2020   19.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    1.0680   18.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150    0.3720   17.6570 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240   -0.2420   18.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2790   -0.4250   22.8830 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3020    0.4140   23.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7040    0.0050   23.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9630   -0.9120   22.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6260   -1.2470   21.9950 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0190   -0.1310   23.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8990    0.4560   23.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -1.6020   23.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9790   -1.4900   24.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7040   -2.5860   25.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -2.8420   23.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1440   -3.9440   24.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2890   -3.8350   25.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0660   -4.9190   26.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1030   -5.9230   26.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2010   -4.8000   27.2070 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  2  0
 18 17  1  0
 19 18  1  0
 20 19  2  0
 20 16  1  0
 21 14  1  0
 22 21  2  0
 23 22  1  0
 24 21  1  0
 25 24  2  0
 26 25  1  0
 26 23  2  0
 27 26  1  0
 28 27  1  0
 29 27  1  0
M  END