HMDB0031418 RDKit 3D 3,3-Dimethylhexane 26 25 0 0 0 0 0 0 0 0999 V2000 2.5223 0.9135 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -0.5362 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -0.8538 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 -0.3943 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5198 -0.8920 -1.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -1.1395 0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 1.0402 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 1.4929 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 1.4087 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6676 1.0053 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 1.5165 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.0896 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 -0.9693 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 -1.9862 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7935 -0.4890 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0603 -0.3185 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -1.9721 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 -0.7679 -1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 -2.1699 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 -1.1773 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9262 -0.5727 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 1.2860 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0928 1.7241 -0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8443 1.4655 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 2.5590 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 0.9165 -0.2397 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 4 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 5 16 1 0 5 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