4-isopropylbenzoic acid http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=067869ad-bcaf-4efb-8633-e9c13d78d452 12 12 0 0 0 1 V2000 0.0000 1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0.5047 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.5140 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 2.0186 1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 2.0186 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.0279 1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 3.0279 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.5326 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 4.5419 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 5.0466 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 5.0466 1.7158 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 5 4 2 0 0 0 4 6 1 0 0 0 7 5 1 0 0 0 6 8 2 0 0 0 9 7 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 M END