HMDB0033792 RDKit 3D Hexadecane 50 49 0 0 0 0 0 0 0 0999 V2000 6.2628 -0.3029 -1.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0441 0.6693 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9307 0.0604 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 -0.9667 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4891 -0.6834 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -0.4171 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -0.1982 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 0.9719 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3071 1.2410 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1029 0.0527 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5742 0.4614 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 -0.6367 1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9112 -0.1811 0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2982 0.1638 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7508 0.6015 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6713 -0.4946 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 -0.5370 -1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 0.1489 -2.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -1.2978 -1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0639 1.2592 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 1.4873 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9734 -0.3559 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8334 0.9265 1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0686 -1.2986 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1712 -1.9521 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9147 -1.5817 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 0.1715 1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 0.4273 -1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2324 -1.3699 -1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0719 -1.1372 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -0.0243 -1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 0.7255 1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7153 1.8686 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6406 1.4291 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 2.0941 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 -0.8681 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8108 -0.1315 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 0.7320 -0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7103 1.3377 1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 -0.9705 2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 -1.5524 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5391 -0.9748 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0914 0.7460 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1018 -0.6370 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6794 1.0470 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8906 1.5094 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0046 0.7930 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1776 -1.4908 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0671 -0.2714 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5544 -0.5937 -0.7040 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 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 16 50 1 0 M END