matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0516_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.8870   24.9920   16.5240 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4460   24.0350   17.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5170   22.6190   17.2150 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9380   23.9660   17.4480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2830   25.9070   15.8930 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3380   24.8660   16.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   25.1590   14.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3330   26.1920   15.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   26.2270   15.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460   26.6630   17.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360   26.5880   17.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   26.0740   16.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540   25.5170   14.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710   25.6680   14.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980   25.7450   14.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0
  1  8  1  0
  6  4  1  0
  8  9  1  0
  4  2  1  6
  4  3  1  0
  5 12  1  0
  5 13  1  0
 12 11  2  0
 12 14  1  0
 13  7  1  0
  7 14  1  0
 14 15  2  0
  9 10  2  0
  9 15  1  0
 10 11  1  0
M  END