matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0598_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.6410   23.7670   14.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1170   21.1370   14.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7980   23.0570   13.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2170   24.0060   16.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4760   23.1850   16.8880 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   22.9610   12.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3170   23.7800   17.3810 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2080   24.8240   17.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0150   24.5270   16.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4720   22.1370   16.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7290   22.3680   17.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   22.7850   13.8060 S   0  0  2  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1 12  1  0
  7  4  1  6
 12  2  1  1
 12  3  2  0
 12  6  2  0
  7  8  1  0
  7 11  1  0
  5  9  1  0
  5 10  1  0
  9  8  1  0
 10 11  1  0
M  END