HMDB0253129 RDKit 3D Hexadrin 27 31 0 0 0 0 0 0 0 0999 V2000 1.9206 1.8552 2.5628 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6843 0.8152 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8263 -0.5033 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 -1.5859 2.4540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4948 -0.9695 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 -2.4805 -0.6650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0817 -0.7479 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9682 -1.2372 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -0.1460 1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 1.0075 0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4566 0.5257 -0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3159 -0.2035 -1.5347 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -0.9974 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 0.7818 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 1.2659 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 2.9029 -0.5534 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 0.2387 -0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6916 0.2906 -2.6544 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8334 0.3905 -0.6335 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0798 -1.0882 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 -2.2297 0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 -0.2629 1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 -0.0808 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 1.9722 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4188 0.9564 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1557 -1.6270 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 1.1571 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 15 2 1 0 17 5 1 0 14 7 1 0 13 8 1 0 13 11 1 0 7 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 13 26 1 0 14 27 1 0 M END