matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0727_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.4140   11.3050   -5.6620 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180   13.6550   -4.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210   11.9150   -7.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0330   12.2380   -4.7220 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2480   10.7860   -2.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140   11.1500   -6.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890   12.6450   -2.3640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2290    9.9360   -7.6880 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1160   10.2260   -8.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    9.1900   -7.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5090    8.5990   -6.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090    8.6720   -6.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8130   11.8120   -3.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1  6  1  0
  4  2  1  1
  4 13  1  0
  6  3  2  0
  8  6  1  1
 13  5  2  0
 13  7  1  0
  8  9  1  0
  8 12  1  0
  9 10  1  0
 12 11  1  0
 10 11  1  0
M  END