File: EmbeddedSgroupDAT_SUP.sdf

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  Mrv2311 01152402142D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 12 11 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.5159 0.4349 0 0
M  V30 2 C 1.7618 -0.4703 0 0
M  V30 3 C -0.73 -0.4703 0 0
M  V30 4 C 1.2859 -1.9349 0 0
M  V30 5 C -0.2541 -1.9349 0 0
M  V30 6 Cl -1.7618 -0.4224 0 0
M  V30 7 C 0.5159 1.9349 0 0
M  V30 8 C -10.1042 0.5833 0 0
M  V30 9 O -8.5726 0.4224 0 0
M  V30 10 C 1.8497 1.1649 0 0
M  V30 11 C -0.8178 1.1649 0 0
M  V30 12 C 0.5159 3.4749 0 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 2 4
M  V30 4 1 3 5
M  V30 5 1 4 5
M  V30 6 1 1 7
M  V30 7 1 3 6
M  V30 8 1 8 9
M  V30 9 1 7 10
M  V30 10 1 7 11
M  V30 11 1 7 12
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 DAT 0 ATOMS=(5 1 2 3 4 5) FIELDNAME=TestFrag -
M  V30 FIELDDISP="    0.5159    0.4349    DRU   ALL  0       0" -
M  V30 MRV_FIELDDISP=4 QUERYTYPE=mQ QUERYOP=<> FIELDDATA=qqwwq
M  V30 2 SUP 0 ATOMS=(4 7 10 11 12) SAP=(3 7 1 1) XBONDS=(1 6) LABEL=tBu
M  V30 END SGROUP
M  V30 END CTAB
M  END