matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x1015_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.2230   12.2720   -3.9630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850   14.4130   -4.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410   10.5720   -2.5670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8440    8.8750   -8.4900 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1460   13.7360   -3.9620 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5390   12.7930   -1.9630 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270   15.0930   -2.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2130   11.7460   -2.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   14.0080   -2.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6580   11.5030   -5.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340   11.6300   -6.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920   10.8150   -7.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610    9.8630   -7.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850    9.7070   -5.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460   10.5460   -4.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  1  8  1  0
  1 10  1  0
  5  2  1  1
  5  9  1  0
  8  3  2  0
  8  6  1  0
 10 11  2  0
 10 15  1  0
  4 13  1  0
 13 12  2  0
 13 14  1  0
  9  6  1  0
  9  7  2  0
 11 12  1  0
 15 14  2  0
M  END