HMDB0002350 RDKit 3D Octadecanol 57 56 0 0 0 0 0 0 0 0999 V2000 -5.8113 3.2587 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4593 2.2984 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4449 0.8735 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0324 0.3741 0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2388 0.4225 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 -0.0620 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -1.4846 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.0549 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 -2.0568 -0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 -2.6616 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5099 -1.9235 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8614 -2.5536 0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -2.5509 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8432 -1.1399 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 -0.3451 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 1.1013 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 1.7903 0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 3.2354 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5982 3.2362 -0.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 2.9159 2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2469 4.2880 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7222 3.3705 0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5330 2.5990 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0393 2.4161 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0084 0.8204 1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9163 0.2512 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1515 -0.7124 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5493 0.8671 1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1641 1.4617 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7739 -0.1604 -1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3066 0.6015 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -0.0248 -1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4138 -2.1147 -0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2916 -1.4984 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -3.0445 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -1.3980 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -2.6613 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4991 -1.0231 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -2.8668 -1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 -3.6882 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 -0.8441 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9594 -1.8434 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -2.0586 1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 -3.6062 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -2.9137 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -3.1535 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 -0.6685 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4818 -1.2386 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5393 -0.8217 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 -0.2471 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 1.5967 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3499 1.1493 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9455 1.6685 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 1.2965 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8378 3.7370 0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3845 3.6578 1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 4.1336 -0.8684 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 M END