HMDB0014931 RDKit 3D Haloprogin 18 18 0 0 0 0 0 0 0 0999 V2000 -3.8030 2.0994 0.3146 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 1.0313 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 0.1880 -1.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 -0.6504 -1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2964 -1.6904 -2.7010 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 -0.6597 -0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 -1.4607 -0.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -1.5518 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 -0.2503 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 0.8021 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 2.6046 0.6602 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.1782 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3887 1.0175 0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4364 2.0599 2.2811 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 0.1837 -1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6028 -1.7763 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 -2.3497 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 0.2248 1.4285 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 1 0 4 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 3 0 10 11 1 0 6 12 1 0 12 13 2 0 13 14 1 0 13 2 1 0 3 15 1 0 8 16 1 0 8 17 1 0 12 18 1 0 M END