matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0849_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.2530   15.0620    1.9700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   15.2660   -0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5010   15.4110   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9870   14.6590    1.9300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3810   15.3090    1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1260   14.8950    1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1450   14.5600    1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490   14.6660   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790   14.8680   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   14.9910   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4600   15.5310   -2.6360 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0
  1  6  1  0
  5  3  1  0
  6  4  2  0
  6 10  1  0
  2  3  2  0
  2 10  1  0
  2 11  1  0
 10  9  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
M  END