matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0216_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
   18.0380   29.1440    6.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7470   29.6040    6.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2040   28.0810    7.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1910   29.8610    7.1410 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.6970   27.6400    5.5970 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2320   25.9900    2.8210 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5100   31.3260    7.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7870   25.2970    4.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9870   28.2820    6.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4270   27.7650    4.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8770   26.8580    6.0130 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.1630   27.6630    6.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7440   27.6470    4.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2190   25.5950    5.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6170   26.0350    4.2050 S   0  0  1  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1  9  1  0
  4  2  1  6
  4  7  1  0
  9  3  2  0
  9  5  1  0
  5 10  1  0
 11  5  1  6
 11 12  1  0
 11 14  1  0
  6 15  2  0
 15  8  2  0
 15 13  1  1
 15 14  1  0
 12 13  1  0
M  END