HMDB0031778 RDKit 3D Diflubenzuron 30 31 0 0 0 0 0 0 0 0999 V2000 1.2184 -0.5510 -2.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 -0.2597 -1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -0.3149 -0.9925 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 -0.0613 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 0.2830 1.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0445 -0.1270 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 0.1737 1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0132 0.5201 2.3649 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 0.1383 1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8362 -0.2075 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2137 -0.5118 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8052 -0.4690 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2482 -0.7772 -2.1725 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5445 0.0814 -0.0081 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9592 0.1211 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 -0.4349 -1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 -0.3113 -1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 0.3708 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5403 0.5206 0.0077 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 0.9323 0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 0.8134 0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 -0.6006 -1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5854 0.3788 2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9107 -0.2307 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7872 -0.7912 -1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 0.3266 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 -0.9919 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7399 -0.7610 -1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5074 1.4790 1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 1.2619 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 2 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 12 6 1 0 21 15 1 0 3 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 14 26 1 0 16 27 1 0 17 28 1 0 20 29 1 0 21 30 1 0 M END