HMDB0002833 RDKit 3D Testosterone sulfate 53 56 0 0 0 0 0 0 0 0999 V2000 1.9588 -0.8341 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8971 0.0381 -0.1128 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3351 1.4028 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 1.4237 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 0.4187 -0.1853 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2789 -0.8925 -0.4737 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2181 -1.7648 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 -2.1549 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.9637 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 -1.0257 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9996 0.1301 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0079 -0.0271 1.6495 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4867 1.4738 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 1.5198 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 0.2664 0.5556 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0537 0.2600 2.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9778 -0.5567 -1.1894 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7602 -1.6772 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1604 -1.0579 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 0.0515 -0.8208 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1964 -0.1401 0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2418 1.1234 0.2954 S 0 0 0 0 0 6 0 0 0 0 0 0 6.6418 0.6622 0.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7701 1.9493 1.4868 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2774 2.1518 -1.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8232 -1.9095 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 -0.4748 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 -0.7223 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 1.8435 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 2.0385 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 2.4443 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 1.3746 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 0.8365 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1225 -1.4021 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -2.7101 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -1.2799 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -2.6517 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 -2.8454 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8627 -1.9412 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1907 1.9312 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6106 2.0896 1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 2.3873 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 1.6714 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 -0.2692 2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -0.2798 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 1.3095 2.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 0.2412 -1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7642 -2.5652 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4318 -1.8911 -2.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -1.8493 -1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -0.5719 -2.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3483 1.0532 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2315 2.3656 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 6 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 2 0 22 25 1 0 17 2 1 0 20 2 1 0 15 5 1 0 15 9 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 6 6 34 1 1 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 10 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 16 44 1 0 16 45 1 0 16 46 1 0 17 47 1 6 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 6 25 53 1 0 M END