HMDB0061098 RDKit 3D alpha-dihydrotetrabenazine 52 54 0 0 0 0 0 0 0 0999 V2000 -6.3486 -1.6290 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 -0.9526 -0.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 -0.5661 -0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6774 -0.8439 -1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 -0.4695 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 0.1842 -0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 0.4466 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0374 0.0900 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8681 0.3668 1.8587 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2877 1.0484 2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 0.6285 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2504 0.0565 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 -0.0977 0.7978 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0386 -1.4384 0.4453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3022 0.8083 -0.2097 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7373 0.6244 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 0.8252 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 0.5852 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7059 0.0801 1.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 0.7844 -1.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 0.3789 -1.4422 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 -0.9117 -2.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 -0.7937 -2.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9601 -2.6665 -1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1124 -1.0727 -2.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4364 -1.6652 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0836 -1.3729 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3205 0.9728 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9883 1.1982 3.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8955 2.0300 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3688 0.5143 3.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 1.7488 -0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 -0.9572 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 0.6675 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1848 0.0663 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9509 -2.0348 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 1.8871 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -0.3995 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 1.2923 -1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 1.9192 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9574 1.0076 0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1508 1.1290 -1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 -0.4880 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2915 -0.9395 1.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -0.0015 2.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 0.6627 2.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 1.8014 -1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 0.1103 -2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 -1.7214 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 -1.2015 -2.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8122 -1.7457 -3.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4641 0.0539 -3.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 6 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 15 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 8 3 1 0 21 11 1 0 23 5 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 7 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 1 14 36 1 0 15 37 1 1 16 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 M END