HMDB0031416 RDKit 3D 3,4-Dimethylheptane 29 28 0 0 0 0 0 0 0 0999 V2000 3.6114 0.5128 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 0.1647 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 0.1816 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0424 -0.1659 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1809 0.8238 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -0.3671 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -1.5208 1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -0.5942 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0717 0.5523 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5378 -0.0342 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 0.1864 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 1.6104 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4671 1.0329 -1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -0.7566 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 1.2198 0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 -0.5143 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 -1.1795 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 0.6931 -2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 1.8788 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 0.7823 -2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1295 0.5239 1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 -2.0527 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2306 -1.1597 2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0432 -2.2445 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1204 -0.6757 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 -1.5767 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0738 0.8773 -0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 1.4714 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 0.3305 -1.7361 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 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 M END