HMDB0014868 RDKit 3D Thiabendazole 21 23 0 0 0 0 0 0 0 0999 V2000 -3.5076 0.6853 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5454 -0.2216 0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4019 -0.7257 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 -0.3191 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0891 -0.6487 0.9194 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 0.0118 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 -0.0483 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0661 -0.8587 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 -0.5883 0.8088 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5438 0.5291 -0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.6359 -0.5799 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2241 0.7736 -0.7106 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 0.5848 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2596 1.0673 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4271 1.0834 -1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5238 -0.5202 0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 -1.4380 1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3622 -1.3126 1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.5135 1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.0455 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2253 1.7781 -1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 6 12 2 0 12 13 1 0 13 14 2 0 14 1 1 0 13 4 1 0 11 7 1 0 1 15 1 0 2 16 1 0 3 17 1 0 5 18 1 0 8 19 1 0 10 20 1 0 14 21 1 0 M END