HMDB0012779 RDKit 3D 4-Hydroxyestrone sulfate 47 50 0 0 0 0 0 0 0 0999 V2000 -3.4570 -0.8621 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 -0.4280 -0.5476 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5257 -1.5690 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -1.6289 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 -0.3097 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 -0.3333 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5546 -1.3950 1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 -1.4826 1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 -0.4939 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 -0.5673 1.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -1.2987 0.0232 S 0 0 0 0 0 6 0 0 0 0 0 0 6.9743 -2.3383 0.7861 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 -1.9416 -1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2475 -0.1515 -0.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1644 0.5747 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 1.5452 -0.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 0.6740 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 1.8583 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 2.0171 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 0.7387 -0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 0.8611 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9288 1.5566 0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1308 0.7968 1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4576 -0.0828 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5758 -0.4251 -0.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 -1.1822 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2276 -1.6786 -1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9932 -0.0047 -2.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -2.5230 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 -1.5520 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 -2.5120 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -1.6100 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9788 -0.1486 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 -2.2070 1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3683 -2.3345 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1957 0.6734 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 2.3541 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 1.7230 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 2.7651 -0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6297 2.8862 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 2.2800 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 0.4141 -1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7455 1.4747 -1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 1.5731 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 2.6210 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 0.2044 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9694 1.4688 1.5190 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 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 1 0 15 17 2 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 24 25 2 0 21 2 1 0 24 2 1 0 20 5 1 0 17 6 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 0 7 34 1 0 8 35 1 0 14 36 1 0 16 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 M END