HMDB0004063 RDKit 3D Metanephrine 29 29 0 0 0 0 0 0 0 0999 V2000 -3.9743 1.0346 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 0.2344 0.7494 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 -0.5254 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 0.4086 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8972 1.0981 1.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 -0.2935 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 -1.5971 -0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -2.1873 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5539 -1.4776 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 -2.0656 -1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -0.1857 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 0.6002 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 1.9313 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 0.3836 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0944 0.4852 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 1.8684 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 1.4401 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1922 -0.3540 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1112 -1.2586 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4965 -1.0404 -0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 1.1866 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 0.4172 2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 -2.1259 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 -3.2008 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7838 -3.0402 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 1.9153 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5664 2.4067 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.5172 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 1.4246 0.2364 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 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 7 23 1 0 8 24 1 0 10 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 14 29 1 0 M END