https://cactus.nci.nih.gov/chemical/structure/OC(=O)CCC1=C(O)C(O)=CC=C1/file?... OpenBabel09142113523D Jmol version 14.31.45 2021-07-21 05:08 EXTRACT: ({0:22}) 23 23 0 0 0 0 0 0 0 0999 V2000 4.1861 -0.2597 -1.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 -0.0480 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 0.0040 1.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8165 0.1250 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9842 0.3507 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 0.5237 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2727 -0.5880 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7603 -1.8362 0.3487 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 -0.4247 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -1.5130 -0.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 0.8487 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 1.9543 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 1.7924 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1025 -0.3647 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 0.9852 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4647 -0.7709 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 -0.5094 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 1.2467 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8318 -2.1709 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 -1.8013 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 0.9782 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 2.9466 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 2.6583 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 M END $$$$