HMDB0031583 RDKit 3D 3-Methylheptane 26 25 0 0 0 0 0 0 0 0999 V2000 3.6531 -0.6269 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -0.9818 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 0.2042 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 -0.2872 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 0.7749 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9203 2.0118 -0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 0.1751 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7778 -1.0473 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 0.4382 0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3046 -0.8433 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -1.3146 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 -1.8339 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 -1.1933 -1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 0.9821 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3527 0.5464 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 -0.6533 -1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 -1.1446 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2551 0.9912 1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 2.7955 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2737 1.8643 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1069 2.3789 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 -0.1760 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2822 0.9236 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 -0.8682 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 -1.9432 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8769 -1.1728 0.4960 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 5 7 1 0 7 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 M END