matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0478.mol

Summary

Maintainability
Test Coverage
x0478
     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
   16.1720    2.2960  -14.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9820    3.2160  -14.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7160    3.2430  -12.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8160    3.9070  -12.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5740    2.3960  -11.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6690    1.7180  -12.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4450    0.9430  -11.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1380    0.8380  -10.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0460    1.5170   -9.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7430    1.3840   -8.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4130    2.7410   -7.1420 S   0  0  1  0  0  0  0  0  0  0  0  0
   17.1880    2.3390   -5.7410 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5810    3.6120   -7.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0020    3.6260   -7.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2690    2.2950  -10.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  6
  5 15  1  0
  9 15  2  0
M  END