HMDB0037617 RDKit 3D xi-2,3-Dimethylhexane 26 25 0 0 0 0 0 0 0 0999 V2000 3.1667 -0.9510 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -0.8825 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 0.4423 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 0.7246 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4603 2.1840 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 -0.1115 -0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 0.3689 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 -1.5802 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 0.0874 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -1.2369 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -1.6677 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 -1.6465 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 -1.2155 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 1.2392 0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 0.6750 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7074 0.7342 1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 2.5675 -0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3387 2.7387 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 2.2495 -1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 -0.0544 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3317 -0.4286 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 0.3934 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8819 1.3236 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 -1.9439 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -2.2198 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 -1.7900 0.6429 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 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 5 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 7 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