File: repeat_groups_query1.mol

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  Mrv1824 06192020192D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 6 6 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.25 0.7484 0 0
M  V30 2 C -2.5837 -0.0216 0 0
M  V30 3 C -2.5837 -1.5617 0 0
M  V30 4 C -1.25 -2.3317 0 0
M  V30 5 C 0.0837 -1.5617 0 0
M  V30 6 C 0.0837 -0.0216 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 1 6
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SRU 0 ATOMS=(1 1) XBONDS=(2 1 6) XBHEAD=(2 6 1) XBCORR=(4 6 6 1 1) -
M  V30 BRKXYZ=(9 -2.02 -0.0216 0 -2.02 1.5184 0 0 0 0) BRKXYZ=(9 -0.48 1.5184 -
M  V30 0 -0.48 -0.0216 0 0 0 0) CONNECT=HT LABEL="1-3"
M  V30 END SGROUP
M  V30 END CTAB
M  END