HMDB0032876 RDKit 3D Rhein 29 31 0 0 0 0 0 0 0 0999 V2000 4.6255 -2.2199 0.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4249 -1.1004 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -0.3855 -0.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 -0.5350 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 0.7126 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6247 1.2675 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3521 2.5094 -1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 0.5305 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.7079 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9894 -1.2289 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 -1.4276 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 -2.5833 1.2693 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 -0.8846 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8798 -1.5963 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -1.0702 1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 0.1531 0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2735 0.8972 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5308 2.1120 -0.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9843 0.3717 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8147 1.0877 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9429 2.2280 -0.8863 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7489 0.5499 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7068 1.2844 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 3.0379 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1209 -2.2099 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7422 -2.5757 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0267 -1.6072 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3352 0.6130 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9563 2.7779 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 10 4 1 0 19 13 1 0 20 8 1 0 3 22 1 0 5 23 1 0 7 24 1 0 10 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 18 29 1 0 M END