matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0465_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.0620   13.2750   -4.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430   11.4910   -5.5490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810   12.5410   -4.5850 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0990   12.7820   -2.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860   10.8580   -5.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6610   10.7390   -3.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490   11.2140   -5.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9080   10.4740   -5.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9190    9.4010   -6.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720    9.0360   -6.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240    9.7670   -6.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   12.0250   -3.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920    9.4350   -7.2080 F   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  6
  3  2  1  0
  3 12  1  0
  2  5  1  0
  5  7  2  0
  5 11  1  0
 12  4  2  0
 12  6  1  0
  7  8  1  0
 11 10  2  0
 11 13  1  0
  8  9  2  0
  9 10  1  0
M  END