HMDB0061807 RDKit 3D alpha-Trichloromethylbenzyl acetate 24 24 0 0 0 0 0 0 0 0999 V2000 -3.2691 1.9847 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 0.8889 0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 0.5556 2.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 0.2291 -0.0448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 -0.7990 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 -0.3703 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 0.2636 -1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 0.6765 -1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 0.4404 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -0.1960 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -0.5915 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 -2.0936 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 -2.6164 -0.0528 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -1.7359 -2.1797 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -3.3823 0.0051 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3662 2.6971 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 2.5920 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 1.6144 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -1.0685 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3724 0.4504 -1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 1.1741 -2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 0.7446 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8846 -0.3658 1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5273 -1.0922 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 5 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 11 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 M END