matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0600_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
  -12.5000   25.6490   16.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4000   26.6990   17.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2790   26.3470   16.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8030   27.5980   10.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1440   26.6250   14.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8290   30.5680   10.3430 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0070   27.2850   14.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8770   30.2040   11.1080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8670   27.5930   12.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8730   27.2490   12.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6800   28.3380   10.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7420   29.8110   10.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0070   26.5740   12.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1400   26.2670   13.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  3  2  2  0
  3  5  1  0
  5  7  2  0
  5 14  1  0
  4 10  1  0
  4 11  1  0
 10  9  2  0
 10 13  1  0
 11 12  1  0
  7  9  1  0
 14 13  2  0
  6 12  2  0
 12  8  1  0
M  END