matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0524_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4270    8.5490   -8.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630    9.2040   -6.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700   10.6300   -7.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130    9.5380   -7.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850    8.8120  -11.8600 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280    8.6160   -9.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740    9.3540  -10.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090    9.4360  -11.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120    8.7860  -10.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090    9.6240  -12.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300   10.8180  -13.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   11.5790  -14.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960   11.1660  -15.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750    9.9820  -14.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    9.2050  -13.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8640    8.0410   -9.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8280    7.9530   -8.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1  6  1  0
  4  2  1  0
  4  3  2  0
  6  7  2  0
  6 17  1  0
  5  9  1  0
  5 10  1  0
  9  8  2  0
  9 16  1  0
 10 11  2  0
 10 15  1  0
  7  8  1  0
 17 16  2  0
 11 12  1  0
 15 14  2  0
 12 13  2  0
 13 14  1  0
M  END