matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0511.mol

Summary

Maintainability
Test Coverage
mac-x0511
     RDKit          3D

 11 12  0  0  0  0  0  0  0  0999 V2000
    6.0340   45.6390   -1.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   45.0570   -0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2420   43.6810   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   42.7050    0.0240 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0440   41.7670    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0210   40.9930    1.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590   40.3250    0.9250 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660   40.5850   -0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3850   42.0300   -0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3180   43.4460   -1.4310 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7930   44.6490   -1.8460 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  4  9  1  0
  8  9  1  0
  3 10  2  0
  1 11  1  0
 10 11  1  0
M  END