matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0436_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
  -10.2890   28.2620  -15.8130 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5990   30.6230  -14.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8530   29.2140  -13.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3200   29.4180  -11.5320 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.1710   30.2070  -14.3590 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.7180   30.2510  -16.6980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5470   29.1100  -12.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5060   28.9040  -13.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2000   28.9090  -13.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9530   29.1380  -12.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9830   29.2770  -11.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2890   29.2660  -11.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0490   29.5590  -15.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0
 13  5  1  0
 13  6  2  0
  5  2  1  1
  5  3  1  0
  3  7  1  0
  7  8  2  0
  7 12  1  0
  4 10  1  0
 10  9  2  0
 10 11  1  0
  8  9  1  0
 12 11  2  0
M  END