HMDB0059865 RDKit 3D Isobutyl decanoate 44 43 0 0 0 0 0 0 0 0999 V2000 -6.4049 -1.0808 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8959 -0.7726 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7336 0.1632 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 0.5423 -1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 1.2662 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0765 0.7126 0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 -0.6051 0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 -0.6210 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 0.3156 0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 0.2537 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -0.5009 -1.2206 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 1.0651 0.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4801 1.0915 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1832 -0.2365 -0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4455 -0.6199 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -0.1106 -1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0049 -0.2036 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6601 -1.9365 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5866 -1.3653 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3827 -1.7204 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -0.2520 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2452 -0.3827 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3909 1.0859 -0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4671 1.2295 -2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 -0.3452 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 1.6012 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 2.2827 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2366 1.4317 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 0.7367 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 -1.4477 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 -0.8407 1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -1.6543 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2973 -0.4766 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 0.1340 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5638 1.3651 0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1474 1.8039 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3926 1.5367 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5996 -1.0263 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 -0.4530 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2863 -0.0391 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 -1.6817 0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1762 0.6256 -0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9517 -1.1218 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2817 0.2509 -2.3352 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 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 M END