matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6lze.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.0870    1.8140   22.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810    7.0460   25.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1680    7.6080   24.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    6.7900   23.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1240    5.3830   23.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1430    4.8300   24.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1710    5.6670   25.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1210    3.4170   24.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0760    3.1930   23.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0970    4.3690   22.5810 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    1.7420   21.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3390    0.6000   23.3010 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4100   -0.6490   22.6270 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0590   -1.0890   22.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0560   -0.8910   22.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9220   -1.7470   23.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3190   -1.3780   24.2560 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3750   -1.1980   23.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7490   -0.9120   23.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1630   -2.0110   24.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0960   -2.2660   25.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7180   -2.5110   25.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3670    0.8420   17.1750 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7420    0.8700   18.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4940    1.7310   18.4570 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    1.4440   19.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9480   -0.0010   20.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    0.0070   19.4980 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4230   -1.5020   19.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690   -2.3340   20.2290 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1140   -1.8150   20.8270 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430   -3.8160   19.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -4.3710   19.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  7  2  1  0
  8  6  1  0
  9  8  2  0
  9  1  1  0
 10  9  1  0
 10  5  1  0
 11  1  2  0
 12  1  1  0
 13 12  1  0
 14 13  1  0
 15 14  2  0
 13 16  1  1
 17 16  1  6
 18 17  1  0
 19 18  1  0
 20 19  1  0
 21 20  1  0
 22 21  1  0
 22 17  1  0
 24 23  2  0
 25 24  1  0
 26 25  1  0
 27 26  1  0
 28 27  1  0
 28 24  1  0
 28 29  1  6
 30 29  1  6
 31 30  1  0
 31 14  1  0
 32 30  1  0
 33 32  2  0
M  END