HMDB0246738 RDKit 3D 5-[(1R)-2-(Tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol 35 35 0 0 0 0 0 0 0 0999 V2000 -2.7709 0.6081 -1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7781 -0.2164 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 -1.0424 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 0.7882 1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7624 -1.0985 0.2479 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 -0.8567 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 -0.2976 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 0.9616 -0.8834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8226 -0.1135 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 0.7010 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 0.9344 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6428 1.7785 -1.5452 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5209 0.3318 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7648 -0.4908 1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4071 -1.0703 2.3122 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -0.7013 0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5751 1.6900 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 0.1518 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 0.6246 -1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4198 -1.2201 0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 -1.9340 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8511 -0.3632 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 1.0877 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 1.7022 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7912 0.2891 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0488 -2.0825 0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -0.1986 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0587 -1.8220 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 -0.9942 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 1.6420 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1556 1.1899 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6517 2.7783 -1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5758 0.5379 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 -1.9570 2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -1.3381 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 16 35 1 0 M END