HMDB0060989 RDKit 3D 4'-hydroxypropanolol 41 42 0 0 0 0 0 0 0 0999 V2000 5.5482 0.6006 -0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 -0.4280 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1978 -0.9359 1.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3175 0.1439 0.3927 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7379 0.5110 -0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3859 1.1477 -0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 2.3096 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 0.1248 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 0.6155 -0.4477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 -0.2013 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 -1.4879 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 -2.2787 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 -1.7936 0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2774 -2.5973 0.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3824 -0.4987 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6407 0.0608 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8111 1.3674 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7335 2.1448 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 1.5860 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2884 0.2844 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 1.6051 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4110 0.5582 -1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 0.3093 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5859 -1.2708 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8028 -1.8530 1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8198 -0.1345 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 -1.1423 2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 0.8820 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 1.1725 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7081 -0.4391 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 1.4228 -1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1029 2.1984 0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.2197 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 -0.7295 -1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8284 -1.9050 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 -3.2827 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2209 -2.3107 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5109 -0.5241 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8081 1.7560 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8718 3.1587 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 2.2039 -0.9363 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 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 10 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 11 35 1 0 12 36 1 0 14 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 M END