matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0259_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   19.8010   28.2550    6.8820 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7330   28.4550    7.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8390   30.9670    6.8890 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8070   28.5890    6.2440 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.3900   28.3020    7.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2340   27.6290    4.7300 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7410   29.6310    6.9820 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.8880   27.2920    3.0280 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8220   30.6040    8.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7380   31.5930    7.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2480   29.6050    6.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2010   27.9930    5.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6450   27.3110    3.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8300   27.6430    3.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370   28.0360    5.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  5  1  0
  1 12  1  0
  7  5  1  1
 12  6  2  0
 12 15  1  0
  3 10  1  0
  3 11  1  0
 10  9  1  0
 11  7  1  0
  4 15  1  0
 15 14  2  0
  7  9  1  0
  6 13  1  0
 13  8  2  0
  8 14  1  0
M  END