matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0163.mol

Summary

Maintainability
Test Coverage
mac-x0163
     RDKit          3D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.8390   15.2150   -1.5340 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6650   15.3930    1.4110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590   15.0590    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860   14.9500    1.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770   14.6230    0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590   14.4880   -0.2540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970   14.5800   -1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   14.3530   -2.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   13.6800   -2.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2130   12.8500   -4.0310 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9250   11.9120   -3.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560   12.7630   -4.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9970   14.1840   -3.4990 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1560   15.0240   -4.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0840   14.0480   -4.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   14.9120   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  0
  8 13  1  0
 13 12  1  6
 13 14  1  0
 10 15  1  0
 14 15  1  0
  1 16  1  0
  3 16  1  0
  7 16  2  0
M  END