File: bond-query6.mol

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bond-query.mol
  Mrv0541 05231408192D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 5 4 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.6675 -0.3849 0 0
M  V30 2 C -1.3338 0.3849 0 0
M  V30 3 C 0 -0.3849 0 0
M  V30 4 C 1.3338 0.3849 0 0
M  V30 5 C 2.6675 -0.3849 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 5 2 3 TOPO=2
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 END BOND
M  V30 END CTAB
M  END