HMDB0303093 RDKit 3D 2,2,4-Trimethylheptane 32 31 0 0 0 0 0 0 0 0999 V2000 3.5613 0.6143 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 1.0896 -0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0947 0.8299 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.5536 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 -1.3419 0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6213 -0.6473 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8233 -0.1391 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 -0.4636 1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -0.8533 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9472 1.3268 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3643 0.4960 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3562 1.4318 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 -0.2528 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 2.2002 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 0.7245 -1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0474 1.4692 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3425 1.2378 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 -1.1417 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0555 -2.2997 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5565 -1.6915 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7032 -0.8775 1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 -0.1862 1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 -1.7385 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9153 -1.5330 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 0.1005 1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9338 -0.1178 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5184 -0.4467 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -0.5154 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1166 -1.9448 -1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3364 1.9692 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0124 1.6251 0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9202 1.6293 -1.3002 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 7 8 1 0 7 9 1 0 7 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 M END