HMDB0252328 RDKit 3D Fludioxonil 24 26 0 0 0 0 0 0 0 0999 V2000 1.7133 -1.7639 -3.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 -1.0297 -2.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1637 -0.1216 -1.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 0.6513 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1268 1.3880 0.2112 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 1.0947 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 0.1431 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 -0.4272 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 -1.5754 1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2589 -2.1006 1.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4412 -1.5107 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3671 -0.3492 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 0.1847 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4566 1.3171 -0.8332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8106 1.6659 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8863 2.5464 0.4326 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4033 2.1614 -1.7703 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3792 0.4526 -0.2177 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1403 0.6999 -1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 2.0530 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 1.5349 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8674 -2.0765 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -3.0025 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 -1.9354 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 2 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 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 7 3 1 0 13 8 1 0 18 12 1 0 4 19 1 0 5 20 1 0 6 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 M END