HMDB0004448 RDKit 3D 17beta-Estradiol 3-sulfate 48 51 0 0 0 0 0 0 0 0999 V2000 -2.6799 -1.4581 1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 -0.7639 -0.0583 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8959 -1.5653 -1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 -1.5879 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 -0.1808 -0.5260 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5021 -0.1548 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2344 -1.3078 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -1.1676 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1151 0.0890 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4332 0.2091 0.9503 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6114 0.2899 -0.2890 S 0 0 0 0 0 6 0 0 0 0 0 0 6.6031 1.6504 -0.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9845 0.0290 0.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 -0.8626 -1.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 1.2519 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0677 1.1048 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 2.2555 -0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 2.0692 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 0.6746 0.4831 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1115 0.6616 0.0590 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0909 1.2381 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4229 0.6601 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0718 -0.4451 -0.4399 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9358 -1.5190 -0.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -1.4181 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8919 -2.5339 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5164 -1.1107 1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9882 -1.2105 -2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -2.6158 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 -2.1466 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 -2.0827 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0755 0.2796 -1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 -2.2913 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1972 -2.0218 0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0283 -1.7252 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 2.2366 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 2.3473 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5811 3.2084 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 2.4666 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9027 2.7847 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 0.2109 1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 1.1523 -0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8911 0.8455 2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1223 2.3457 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 1.4574 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 0.2687 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 0.0342 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4849 -1.6515 -1.1561 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 9 15 1 0 15 16 2 0 16 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 1 0 23 24 1 0 20 2 1 0 23 2 1 0 19 5 1 0 16 6 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 6 7 33 1 0 8 34 1 0 14 35 1 0 15 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 19 41 1 1 20 42 1 6 21 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 23 47 1 6 24 48 1 0 M END