matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11366.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.5590    1.0590   16.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9650    0.8300   17.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890   -0.2450   18.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    1.6710   18.4020 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    1.5480   19.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    0.4950   20.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    0.3780   21.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700    1.2680   22.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.2790   21.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910    2.4390   19.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6920   -0.4360   20.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800   -1.6390   20.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5630   -2.7120   20.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900   -1.5190   21.8210 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690   -2.6200   22.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7550   -2.9580   22.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8020   -0.3180   22.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2850   -0.6720   22.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5600   -1.7580   22.9980 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8990   -1.9390   23.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1610   -2.7360   24.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1310   -3.4040   25.1700 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9900   -1.3300   22.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2690   -1.4990   23.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4820   -2.2680   24.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4220   -2.8960   25.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  2  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  6  1  0
 11  3  2  0
 12 11  1  0
 13 12  2  0
 14 12  1  0
 15 14  1  0
 16 15  1  0
 17 14  1  0
 18 17  1  0
 19 18  1  0
 19 16  1  0
 20 19  1  0
 21 20  2  0
 22 21  1  0
 23 20  1  0
 24 23  2  0
 25 24  1  0
 26 25  2  0
 26 21  1  0
M  END