HMDB0000248 RDKit 3D Thyroxine 35 36 0 0 0 0 0 0 0 0999 V2000 -3.2295 -0.3950 1.7635 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6649 0.5456 0.7809 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4197 0.0702 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9995 -0.1748 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 0.8388 -1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 0.6654 -1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 2.2834 -2.4092 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -0.5773 -1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 -0.6968 -1.7488 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0483 -0.4465 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6768 -0.0652 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 0.1915 1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 0.7722 3.3353 I 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 0.0504 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9408 0.3038 1.9766 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3372 -0.3321 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 -0.5325 -0.7500 I 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -0.5836 -1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0532 -1.6100 -0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 -3.4752 -0.6593 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 -1.4000 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1066 0.8049 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7654 0.2309 1.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7232 1.6845 0.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 -0.2544 2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5379 -1.3601 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1037 1.4905 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 0.8662 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0578 -0.8276 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 1.8149 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 0.0332 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7262 0.5864 2.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -0.8827 -2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9848 -2.2205 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4087 2.6014 -0.1666 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 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 8 19 1 0 19 20 1 0 19 21 2 0 2 22 1 0 22 23 2 0 22 24 1 0 21 4 1 0 18 10 1 0 1 25 1 0 1 26 1 0 2 27 1 1 3 28 1 0 3 29 1 0 5 30 1 0 11 31 1 0 15 32 1 0 18 33 1 0 21 34 1 0 24 35 1 0 M END