matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10494.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.3940    0.5650   17.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2910   -0.4540   20.9640 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4910    0.9700   20.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1920   -0.1460   23.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4360   -0.5660   22.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    1.5500   19.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4430    0.0270   21.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6020    0.1550   19.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0400   -0.0360   18.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3230    0.4490   23.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3130   -1.1830   21.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9570    0.2310   23.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6710   -0.9810   22.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9970    1.2220   21.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -0.7970   18.2670 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0310    1.0020   21.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9450   -0.7180   22.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220    1.3230   17.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530   -1.8930   21.1110 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  6  3  1  0
  7  2  1  0
  8  3  2  0
  8  2  1  0
  9  8  1  0
  9  1  2  0
 10  4  2  0
 11  5  1  0
 12  5  2  0
 12 10  1  0
 13 11  2  0
 13  4  1  0
 14  3  1  0
 15  9  1  0
 16  7  2  0
 17  7  1  0
 17  5  1  0
 18  6  2  0
 18  1  1  0
 19 13  1  0
M  END