matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0822_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.9000   24.6370   17.2950 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7820   25.7620   17.6300 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7640   24.6720   16.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470   25.1570   17.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   26.0860   14.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9980   25.7540   15.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6980   26.3560   15.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8320   26.8360   16.5100 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4790   27.3660   16.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   28.6010   16.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470   29.0390   16.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200   28.2370   15.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3220   27.0010   15.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8530   26.4000   14.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   26.5840   15.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  4  1  0
  2  8  1  0
  4  3  1  0
  8  7  1  0
  8  9  1  6
  3  6  1  0
  6  7  1  0
  5 13  1  0
  5 14  1  0
 13 12  1  0
 13 15  2  0
  9 10  2  0
  9 15  1  0
 10 11  1  0
 11 12  2  0
M  END