matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11564.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.6870    1.0200   20.8300 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900   -0.0030   21.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0450   -0.5390   20.8080 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    0.0350   19.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1890    0.8420   20.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6910    1.0640   21.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900    1.4890   18.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1100    1.3330   17.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    0.5680   17.3900 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -0.0730   18.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8210   -0.7390   22.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120   -0.2310   22.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3080   -1.0750   22.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -0.5780   22.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9280   -1.6720   22.8070 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7970    0.7450   23.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4230    1.0970   23.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7080    1.6080   23.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9170    3.0370   23.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0840    3.6860   23.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750    4.9800   23.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0550    3.7710   24.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9430    3.1900   25.0040 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3300    5.0650   24.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4330    5.7320   25.6610 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5150    5.7040   24.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9040    7.0660   25.0590 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  2  0
  6  5  1  0
  7  5  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  4  1  0
 11  2  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  1  0
 16 14  2  0
 17 12  1  0
 18 17  2  0
 18 16  1  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 22 19  1  0
 23 22  1  0
 24 22  2  0
 25 24  1  0
 26 24  1  0
 26 21  2  0
 27 26  1  0
M  END