matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0231.mol

Summary

Maintainability
Test Coverage
mac-x0231
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.9300   10.6480   -3.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550   11.8300   -3.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2710   12.5440   -2.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400   12.3600   -4.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   13.8110   -4.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490   14.8100   -4.4010 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140   16.1370   -4.4530 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430   16.5560   -4.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060   17.6770   -4.7530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   15.4680   -4.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650   15.7460   -5.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8830   14.7110   -5.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4640   13.3870   -5.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140   13.1310   -4.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1940   14.1790   -4.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  5 15  1  0
 10 15  2  0
 14 15  1  0
M  END