HMDB0005085 RDKit 3D Leukotriene B4 dimethylamide 63 62 0 0 0 0 0 0 0 0999 V2000 -4.2843 2.8117 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4558 2.1452 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 0.9779 -2.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 -0.1094 -1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2086 -0.6852 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5189 -1.7512 0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2554 -1.6651 1.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5668 -0.5641 2.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2347 -0.0554 3.3345 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5954 -1.1054 4.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3325 0.3275 2.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3804 -0.4596 1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5444 0.0108 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -0.7681 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 -0.2649 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2373 -0.9360 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 -2.2659 -1.0311 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3296 -2.9192 -2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 -2.3419 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 -1.6840 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 -0.2125 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1682 0.2505 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0414 -0.5982 0.3562 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 1.6072 0.0464 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 2.0447 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 2.5823 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 2.1519 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 3.6376 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6603 3.3089 0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1661 1.8200 -0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9766 2.8870 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9935 0.5984 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4077 1.3425 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2231 -0.9533 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 0.2493 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 0.0461 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0662 -1.2025 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -2.6598 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 -2.5548 2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2058 -0.8882 3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0049 0.3116 2.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 0.7929 4.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -1.8760 4.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 1.2950 1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 -1.4246 2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6911 0.9858 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -1.7273 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 0.7284 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 -0.4828 -2.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6858 -2.9296 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 -3.8539 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 -3.4428 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7802 -1.9697 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2494 -1.9386 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -2.0988 -0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3227 0.1153 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 0.3097 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5029 1.4654 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2495 1.9561 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9619 3.1238 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 2.1646 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8845 3.4448 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 2.8953 0.7986 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 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 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 1 10 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 17 50 1 1 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 25 58 1 0 25 59 1 0 25 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 M END