HMDB0014627 RDKit 3D Brimonidine 27 29 0 0 0 0 0 0 0 0999 V2000 1.5191 -2.0302 2.3783 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 -0.7998 0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 -0.4626 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -1.0058 0.9418 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2661 -0.6416 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0097 -1.3316 -0.3822 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2278 -0.6628 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 0.5256 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 0.5874 0.6448 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 0.4413 -0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 0.9490 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 0.6035 -0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7452 1.1198 -1.1191 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 0.7756 -0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9903 -0.1147 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8392 -0.6263 0.9427 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 -0.2939 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 -1.6737 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 -1.3744 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2593 -0.3605 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.4558 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 0.2972 1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5078 1.4172 1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 0.7244 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 1.6625 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 1.1954 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9613 -0.3768 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 3 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 2 1 0 9 5 1 0 17 12 1 0 4 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 14 26 1 0 15 27 1 0 M END