matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0864_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.2160   11.7510   -5.3340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400   11.3060   -6.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360   11.8990   -6.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4420   12.7420   -4.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430   10.8660   -3.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110   12.1540   -3.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260   12.8470   -2.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   11.2730   -4.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0320   10.2610   -5.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210    9.7320   -6.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1460   10.2360   -7.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190    8.2220   -7.5870 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  1  8  1  0
  2  3  2  0
  2 11  1  0
  4  6  1  0
  8  9  2  0
 11 10  2  0
  6  5  1  0
  6  7  2  0
  9 10  1  0
 10 12  1  0
M  END