HMDB0060076 RDKit 3D 3'-Monoiodo-L-thyronine 4'-O-sulfate 39 40 0 0 0 0 0 0 0 0999 V2000 -4.7374 -0.8937 1.4011 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6714 0.3947 0.7668 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3180 1.0305 0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2098 0.2315 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 0.4460 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 -0.2520 -1.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1281 -1.2060 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 -1.8914 -1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 -1.3077 -1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 -0.3935 -2.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8656 0.1820 -2.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6949 -0.1572 -1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 0.4536 -0.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0673 1.9133 -0.1047 S 0 0 0 0 0 6 0 0 0 0 0 0 5.9521 3.0521 -1.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4286 1.9457 0.5432 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8799 2.0030 1.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 -1.0729 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 -1.5860 1.5184 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 -1.6387 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4943 -1.4408 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 -0.7261 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6801 1.2833 1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4207 0.8703 2.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8066 2.5771 0.9141 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 -0.8364 2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6520 -1.3403 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9106 0.2608 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3268 2.0102 0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 1.2554 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3483 1.2063 -1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -0.0371 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 -0.1382 -3.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 0.9088 -2.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 2.4498 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6719 -2.3632 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 -2.2079 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -0.9147 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3472 2.8709 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 12 18 1 0 18 19 1 0 18 20 2 0 7 21 1 0 21 22 2 0 2 23 1 0 23 24 2 0 23 25 1 0 22 4 1 0 20 9 1 0 1 26 1 0 1 27 1 0 2 28 1 6 3 29 1 0 3 30 1 0 5 31 1 0 6 32 1 0 10 33 1 0 11 34 1 0 17 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 25 39 1 0 M END