HMDB0062544 RDKit 3D 16alpha-Hydroxy DHEA 3-sulfate 54 57 0 0 0 0 0 0 0 0999 V2000 -3.1769 1.8786 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2079 0.5303 0.8703 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3578 0.4494 2.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 0.6411 1.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -0.2422 0.6534 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3423 -0.1419 -0.5397 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8588 -0.9291 -1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 -0.5601 -1.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3985 -0.0908 -1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 0.2376 -1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -0.2851 -0.4887 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9109 0.5787 -0.5513 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2715 -0.1487 -1.1607 S 0 0 0 0 0 6 0 0 0 0 0 0 6.1514 -0.4169 -2.6336 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6087 -1.4276 -0.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 0.8948 -0.9425 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 -0.3798 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -0.7613 1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.1230 0.3233 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3183 1.5664 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 -0.5664 -0.0565 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7563 -0.6164 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 -0.4092 -0.2964 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7624 -1.5777 -0.1916 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5987 0.0999 1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3388 0.0966 2.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0974 2.4531 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3175 2.5102 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1906 1.8572 -0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 -0.4791 2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6682 1.2865 2.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 1.7220 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 0.3744 2.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4618 -1.2935 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 0.9274 -0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9744 -2.0259 -1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -0.6269 -2.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8998 -0.7089 -3.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9043 1.3481 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 -0.1875 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -1.2719 -0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8286 0.9500 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 -1.1425 1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 0.5750 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 -1.7990 0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 -0.6831 2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3253 1.7427 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 1.7430 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6764 2.2645 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6894 -1.4928 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6443 0.1365 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -1.6368 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6049 0.4174 -0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5691 -1.3837 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 11 17 1 0 17 18 1 0 18 19 1 0 19 20 1 1 6 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 21 2 1 0 25 2 1 0 19 5 1 0 19 9 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 1 6 35 1 6 7 36 1 0 7 37 1 0 8 38 1 0 10 39 1 0 10 40 1 0 11 41 1 6 16 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 1 22 51 1 0 22 52 1 0 23 53 1 6 24 54 1 0 M END