HMDB0038602 RDKit 3D Octyl acetate 32 31 0 0 0 0 0 0 0 0999 V2000 -4.1880 -0.0051 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -0.4166 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -1.5429 -0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5905 -1.1478 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9288 0.0177 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 0.3267 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 1.4824 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 1.6754 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.5206 0.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3329 0.4572 0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1766 -0.7674 0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 1.4418 1.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9822 0.7758 0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2492 0.3674 1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5387 -0.9295 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8516 -0.8635 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6287 0.4154 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 -2.3715 -0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 -1.9340 -1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 -0.9634 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8959 -2.0123 -0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -0.1811 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 0.9120 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0149 -0.5748 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2176 0.4933 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 1.2456 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 2.4169 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 1.8626 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9629 2.5277 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -1.0244 1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 -0.5813 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6321 -1.6231 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 M END