1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 10 2 0 0
M V30 BEGIN ATOM
M V30 1 C 15.225000 -9.862500 0.000000 0
M V30 2 C 16.442041 -10.746733 0.000000 0
M V30 3 C 14.007959 -10.746733 0.000000 0
M V30 4 C 15.977165 -12.177408 0.000000 0
M V30 5 C 14.472835 -12.177408 0.000000 0
M V30 6 Cl 13.000000 -10.700000 0.000000 0
M V30 7 C 15.225000 -8.397244 0.000000 0
M V30 8 C 16.527900 -9.149444 0.000000 0
M V30 9 C 13.922200 -9.149444 0.000000 0
M V30 10 C 15.225000 -6.892944 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 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 7 8
M V30 9 1 7 9
M V30 10 1 7 10
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 COP 0 ATOMS=(9 1 2 3 4 5 7 8 9 10) CONNECT=eu LABEL=Chain
M V30 2 SUP 0 ATOMS=(4 7 8 9 10) XBONDS=(1 6) LABEL=tBu
M V30 END SGROUP
M V30 END CTAB
M END
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