HMDB0060446 RDKit 3D Bromobenzene-2,3-oxide 13 14 0 0 0 0 0 0 0 0999 V2000 3.2839 0.0225 0.2457 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 0.0961 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 1.2034 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 1.3085 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 0.2449 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 -1.0388 0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0991 -1.6735 -0.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -1.1220 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 2.0762 -0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 2.2251 -0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 0.2698 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 -1.7148 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0514 -1.8973 0.9784 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 1 0 7 8 1 0 8 2 1 0 8 6 1 0 3 9 1 0 4 10 1 0 5 11 1 0 6 12 1 0 8 13 1 0 M END