File: SgroupExpanded.sdf

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rdkit 202503.6-3
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     RDKit          2D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 6 4 1 0 0
M  V30 BEGIN ATOM
M  V30 1 Mg -6.105000 -1.979200 0.000000 0 VAL=2
M  V30 2 Br -7.645000 -1.979200 0.000000 0
M  V30 3 C -5.335000 -3.312800 0.000000 0
M  V30 4 C -6.105000 -4.646500 0.000000 0
M  V30 5 C -3.795000 -3.312800 0.000000 0
M  V30 6 O -3.795000 -5.312800 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 3 5
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 0 ATOMS=(2 1 2) LABEL=MgBr
M  V30 END SGROUP
M  V30 END CTAB
M  END