HMDB0259199 RDKit 3D Triflumizole 38 39 0 0 0 0 0 0 0 0999 V2000 3.7268 -2.4739 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -1.7269 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 -0.2793 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 0.5758 0.3413 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 0.5260 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2895 1.4505 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4074 1.0004 0.5569 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -0.3434 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 -1.2359 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -2.5453 1.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 -2.9921 0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 -4.6522 0.5835 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 -2.0717 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8161 -0.7505 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4924 0.2161 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5552 0.7633 -2.0742 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1856 1.1793 -0.5121 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -0.5019 -1.9834 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 2.8339 0.1802 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 3.5780 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 4.8964 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0927 4.9484 0.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3073 3.7107 1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 -3.3483 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -2.8950 0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 -1.8011 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 -2.0090 -0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3165 -2.0916 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 -0.1627 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 0.0191 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3614 -0.5141 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 0.8562 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 -0.9399 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1327 -3.2732 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9882 -2.3784 -0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9136 3.2155 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0532 5.7432 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7745 3.4736 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 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 15 16 1 0 15 17 1 0 15 18 1 0 6 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 14 8 1 0 23 19 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 5 31 1 0 5 32 1 0 9 33 1 0 10 34 1 0 13 35 1 0 20 36 1 0 21 37 1 0 23 38 1 0 M END