HMDB0060585 RDKit 3D alpha-Hydroxytamoxifen 58 60 0 0 0 0 0 0 0 0999 V2000 -5.2217 0.5381 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2878 -0.6071 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2404 -1.4373 -1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -0.3428 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8658 -0.4110 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 -0.7479 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 0.2570 -2.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 0.0190 -4.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 -1.2009 -4.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9741 -2.1727 -3.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -1.9529 -2.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 -0.0732 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 -0.8792 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8022 -0.5799 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9517 0.5601 1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 0.9550 1.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3837 0.4009 1.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 0.4442 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2357 -0.1542 -0.0937 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6223 -0.0452 -1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1394 0.5925 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 1.3961 1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 1.0893 0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 -0.0305 1.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 0.8654 2.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5454 1.1532 3.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 0.5232 4.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7746 -0.3938 3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 -0.6775 2.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 1.5394 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8063 0.3631 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0248 0.5913 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8003 -1.2985 0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1722 -1.7637 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 1.2369 -2.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 0.7941 -4.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7137 -1.3674 -5.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -3.1590 -4.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3151 -2.7421 -1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 -1.8032 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 -1.2647 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0557 0.9616 2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 -0.6913 1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 1.5543 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 0.0336 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1378 -0.8264 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7205 -0.0845 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2075 0.9340 -1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2179 0.0533 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7928 1.6349 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 0.6349 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9832 2.3063 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 1.7233 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3883 1.3978 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 1.8844 4.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 0.7411 5.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -0.8756 4.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2035 -1.4005 2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 5 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 15 22 1 0 22 23 2 0 4 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 11 6 1 0 23 12 1 0 29 24 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 13 40 1 0 14 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 25 54 1 0 26 55 1 0 27 56 1 0 28 57 1 0 29 58 1 0 M END