HMDB0302378 RDKit 3D 1-Pentacosanol 78 77 0 0 0 0 0 0 0 0999 V2000 9.8884 1.7151 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8402 0.6478 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 1.2355 1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6914 0.1705 1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1070 -0.4361 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -1.4865 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 -2.0636 -0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4217 -1.4484 -1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 -0.1636 -2.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 1.1027 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 1.2080 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 1.1187 -1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 1.2216 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5277 1.1191 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 1.2246 -0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 0.1417 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -1.2109 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 -2.3047 0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4751 -2.2166 1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5534 -2.3814 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9027 -2.3589 0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1814 -1.0640 1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1415 0.0575 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4261 1.4037 1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3561 2.4464 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6006 3.7241 0.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6122 2.3086 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9439 2.3868 0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8655 1.2295 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 -0.2241 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4404 0.3534 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 2.0200 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0747 1.7013 2.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2367 -0.6155 2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8781 0.5232 2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9128 0.2710 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 -1.0283 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5876 -2.3042 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -1.0740 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -3.0666 -0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 -2.5518 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 -1.5781 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1851 -2.2524 -2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 -0.1490 -2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3394 -0.0359 -2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 1.9076 -2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2075 1.4264 -0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 0.4791 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0919 2.2210 -0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 1.9571 -2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 0.1627 -1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 2.1623 -0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3891 0.3836 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 0.1623 -2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 1.9753 -2.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7054 1.2227 -1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8619 2.2502 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 0.1676 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9635 0.3453 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6284 -1.2834 -1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8608 -1.3181 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -3.2651 -0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -2.3338 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 -1.2611 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5531 -3.0080 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4389 -1.6477 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -3.3804 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9157 -3.2094 1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7058 -2.5584 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4389 -0.9205 2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2137 -1.1446 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9695 -0.0479 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 0.0718 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6964 1.6191 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4664 1.3309 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3436 2.4537 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0782 2.1614 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0862 3.6021 1.3281 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 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 18 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 20 66 1 0 20 67 1 0 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 26 78 1 0 M END