HMDB0041965 RDKit 3D O-Toluidine 17 17 0 0 0 0 0 0 0 0999 V2000 1.7221 1.1530 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 0.5498 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 1.3926 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 0.8078 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 -0.5585 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 -1.3445 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.8330 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -1.6809 -0.0483 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4449 0.6266 0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 1.2543 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6785 2.2046 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 2.4869 0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 1.4222 0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 -1.0135 0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1157 -2.4215 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 -2.6602 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 -1.3858 0.2460 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 7 2 1 0 1 9 1 0 1 10 1 0 1 11 1 0 3 12 1 0 4 13 1 0 5 14 1 0 6 15 1 0 8 16 1 0 8 17 1 0 M END