matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0159_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.8010    9.0900   -9.8410 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0940    7.9060   -9.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    6.7860   -9.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670   10.5140  -11.6580 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260    5.5740   -8.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    8.6170  -11.5890 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790    4.5540   -8.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    3.4440   -8.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490    3.3420   -6.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    4.3510   -6.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870    5.4560   -7.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    9.3880  -11.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370   10.4790  -12.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650   11.4090  -13.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2460   11.1430  -14.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890    9.9650  -14.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    9.0280  -13.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800    9.3000  -12.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 12  1  0
  2  3  1  0
 12  4  2  0
 12  6  1  0
  3  5  1  0
  5  7  2  0
  5 11  1  0
  4 13  1  0
 13 14  2  0
 13 18  1  0
  7  8  1  0
 11 10  2  0
  6 18  1  0
 18 17  2  0
  8  9  2  0
  9 10  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
M  END