matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0116.mol

Summary

Maintainability
Test Coverage
mac-x0116
     RDKit          3D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -6.7750   11.1700    2.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5010   11.2260    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2000   12.4890    0.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2380   13.2500    1.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9360   14.7480    1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5030   14.9720    1.7360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7650   14.9300    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3670   15.0630   -0.6620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190   15.0210   -1.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130   14.8800   -1.8600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380   14.7610   -0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4490   14.6250   -0.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   14.5690    0.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4830   14.6630    1.4470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920   14.8060    0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6100   12.4510    2.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
  7 15  1  0
 11 15  2  0
 14 15  1  0
  1 16  1  0
  4 16  2  0
M  END