File: DoubleBondChain.sdf.expected.cxsmi

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CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 |(3,0,;1.5,0,;0.75,-1.29904,;1.5,-2.59808,;3,-2.59808,;3.75,-3.89711,;3,-5.19615,;5.25,-3.89711,;6,-5.19615,;7.5,-5.19615,;8.25,-6.49519,;7.5,-7.79423,;9.75,-6.49519,;10.5,-5.19615,;9.75,-3.89711,;12,-5.19615,;-0.75,-1.29904,;-0.489528,-2.77625,;-2.15954,-1.81207,;-1.5,0,;-0.75,1.29904,;0.75,1.29904,)|