HMDB0029586 RDKit 3D Octadecylamine 58 57 0 0 0 0 0 0 0 0999 V2000 5.8724 -1.7674 1.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -0.7887 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4069 -0.9386 -0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 -0.8452 -1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 0.4952 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9561 0.5491 -1.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3296 1.8624 -1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 2.1780 0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 1.1967 1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 1.1011 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 0.0966 1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 -0.0332 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3196 -0.4816 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 -0.6227 -0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 -1.6208 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9479 -1.7169 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7015 -0.4403 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8675 0.1824 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6718 0.5449 1.4162 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 -2.6601 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 -1.3259 2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -2.1794 1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2017 0.2423 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6508 -0.7771 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0334 -0.1998 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8085 -1.9379 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0677 -0.9050 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 -1.6920 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 1.2897 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.6336 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 -0.3198 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 0.4036 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3599 1.9834 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 2.6536 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7254 3.1673 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 2.2790 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 0.1963 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3477 1.5824 2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 0.7706 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 2.1033 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 -0.9025 1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7233 0.4378 2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7165 -0.7424 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 0.9599 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 -1.4088 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9103 0.3477 -1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 -0.9917 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2439 0.3606 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0694 -2.6409 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 -1.4149 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4909 -2.5782 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8779 -1.9964 -1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2307 0.3013 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7519 -0.6028 -1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4532 1.1319 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5369 -0.4386 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7339 0.5226 2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3956 1.5091 1.1330 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 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 17 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 M END