HMDB0061102 RDKit 3D 3-oxobrimonidine 30 32 0 0 0 0 0 0 0 0999 V2000 -5.4857 1.5965 1.1084 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3585 0.9216 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1793 1.2969 0.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9829 0.6946 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 -0.4009 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 -1.0173 -0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2543 -0.5606 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 0.5372 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 1.0174 0.5936 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 0.3922 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3078 0.3049 -1.1012 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 -0.3988 -1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7444 -1.0515 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 -0.2552 0.9348 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 1.1441 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5362 2.6731 1.8611 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -0.8550 -0.7534 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6617 -0.2292 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 2.0872 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1617 -1.8806 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 -1.0796 -0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 1.8511 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3964 0.3093 -1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -1.1927 -2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4193 -2.1175 0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -0.9724 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 -0.1460 1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.7039 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3579 0.0279 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -0.9928 0.4050 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 8 15 2 0 15 16 1 0 5 17 1 0 17 18 1 0 18 2 1 0 15 4 1 0 14 10 1 0 1 19 1 0 6 20 1 0 7 21 1 0 9 22 1 0 12 23 1 0 12 24 1 0 13 25 1 0 13 26 1 0 14 27 1 0 17 28 1 0 18 29 1 0 18 30 1 0 M END