KEGG:C03690 Bis(2-ethylhexyl)phthalate ISISHOST03240423092D 1 1.00000 0.00000 3216 28 28 0 0 0 999 V2000 -0.7793 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4379 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1310 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7793 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4414 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0897 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0.5172 -1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1379 0.0483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4379 -2.2207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7897 0.4207 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0931 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0897 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 1.1655 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4138 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 1.8138 -1.0759 0.0000 C 0 0 3 0 0 0 0 0 0 -0.7862 1.7172 0.0000 C 0 0 3 0 0 0 0 0 0 2.4655 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 1.8138 -1.8241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4103 2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5379 1.7207 0.0000 C 0 0 0 0 0 0 0 0 0 3.1138 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 1.1655 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7828 3.0172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9138 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 3.7621 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4034 3.6655 0.0000 C 0 0 0 0 0 0 0 0 0 4.4138 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7759 4.3172 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 2 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 10 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 16 19 1 0 0 0 16 20 1 0 0 0 17 21 1 0 0 0 18 22 1 0 0 0 19 23 1 0 0 0 20 24 1 0 0 0 21 25 1 0 0 0 23 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 9 12 2 0 0 0 M END