matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0417_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.7620   31.4380  -17.0460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770   31.8700  -17.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1590   32.0660  -14.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630   30.6970  -15.7910 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0850   29.7840  -14.2570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810   29.1670  -15.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140   28.6650  -14.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870   30.9770  -14.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2410   29.5790  -13.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5040   29.4670  -14.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6110   29.2280  -13.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4720   29.1000  -11.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2230   29.1950  -11.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1350   29.4210  -12.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110   29.4180  -11.4830 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  4  1  1  6
  4  6  1  0
  4  8  1  0
  3  8  2  0
  8  5  1  0
  6  7  1  0
  5  7  1  0
  5  9  1  0
  9 10  2  0
  9 14  1  0
 10 11  1  0
 14 13  2  0
 14 15  1  0
 11 12  2  0
 12 13  1  0
M  END