HMDB0255883 RDKit 3D OCTACHLORODIBENZO-p-DIOXIN 22 24 0 0 0 0 0 0 0 0999 V2000 -5.0895 -1.6953 0.3344 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5926 -0.7907 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 0.5820 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1611 1.3972 0.1230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4406 1.3009 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5335 3.0316 -0.0966 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1954 0.6857 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -0.6909 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 -1.4318 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -3.1873 0.3253 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 -1.3380 0.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 -0.6133 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 -1.2802 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -3.0413 0.1228 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -0.6292 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -1.5045 -0.0930 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5931 0.7510 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 1.6251 -0.3093 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 1.4520 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 3.2061 -0.3085 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 0.7548 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 1.4162 -0.0865 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 8 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 9 2 1 0 21 12 1 0 22 7 1 0 M END