HMDB0254158 RDKit 3D Lonidamine 31 33 0 0 0 0 0 0 0 0999 V2000 4.4750 1.6610 -0.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 2.0728 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 3.4461 -0.7573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 1.1495 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 1.4265 -1.0587 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2639 0.3259 -1.0942 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 0.2325 -1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 0.3648 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 -0.7776 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6854 -0.7475 1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0515 0.4269 1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2783 0.4729 2.8918 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 1.5812 1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 1.5463 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 2.9959 -0.4009 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0529 -0.6941 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 -2.0694 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8952 -2.9119 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1469 -2.4055 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 -1.0296 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3218 -0.2011 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 3.9480 -0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 -0.7206 -2.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 1.0210 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 -1.7600 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1507 -1.6823 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 2.5407 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0963 -2.5160 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 -3.9743 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 -3.0540 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3578 -0.6681 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 6 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 4 1 0 14 8 1 0 21 16 1 0 3 22 1 0 7 23 1 0 7 24 1 0 9 25 1 0 10 26 1 0 13 27 1 0 17 28 1 0 18 29 1 0 19 30 1 0 20 31 1 0 M END