matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0438_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -7.1640   14.7430   -0.3280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2860   15.6110    3.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6270   14.7950    3.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6170   14.0650    1.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1330   14.3920    1.6160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4870   16.5300    1.7390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3060   14.4050    0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8010   14.9700   -0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0660   15.3330   -1.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870   15.4350   -1.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510   15.2100   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7770   14.8680    0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1470   14.7450    0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3990   15.3340    2.5330 S   0  0  2  0  0  0  0  0  0  0  0  0
  1  7  2  0
  1  8  1  0
  7  4  1  0
  7  5  1  0
  8  9  2  0
  8 13  1  0
 14  2  1  1
 14  3  2  0
 14  4  1  0
 14  6  2  0
  5 13  1  0
 13 12  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
M  END