HMDB0252987 RDKit 3D {4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl... 48 50 0 0 0 0 0 0 0 0999 V2000 4.8093 0.8416 -3.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 0.5151 -1.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 0.9955 -1.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 0.6947 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 1.2600 0.6179 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 0.0249 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 0.2815 0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5365 0.7512 -0.3252 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8556 0.4102 0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3123 0.4634 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8462 0.7048 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2203 0.7267 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0351 0.5010 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5336 0.5067 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8313 0.8280 -1.4004 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.1353 1.4044 0.7418 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.0068 -0.7894 0.1279 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.5366 0.2616 1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4041 0.0613 2.3762 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1440 0.2433 1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 -0.0560 1.7944 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 -0.1263 1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0903 -0.4749 3.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 -0.0613 0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0976 -0.5678 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4184 -0.2461 -1.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6002 -0.6890 -1.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5385 -1.4645 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0392 -0.7377 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 0.4751 0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8199 -1.3489 1.0384 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 0.6086 -3.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0399 1.9137 -3.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 0.2289 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 1.5824 -1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 0.2483 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5228 -1.0088 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2406 0.8727 -1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6378 0.9411 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7131 0.0520 2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2437 -1.0678 2.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 0.5125 3.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -0.9659 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 -0.3031 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 -1.1498 0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2008 -2.4833 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4324 -1.6994 -1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8073 -1.3490 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 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 14 16 1 0 14 17 1 0 13 18 1 0 18 19 1 0 18 20 2 0 9 21 2 0 21 22 1 0 22 23 1 0 4 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 26 2 1 0 22 7 2 0 20 10 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 6 36 1 0 6 37 1 0 11 38 1 0 12 39 1 0 20 40 1 0 23 41 1 0 23 42 1 0 23 43 1 0 24 44 1 0 25 45 1 0 28 46 1 0 28 47 1 0 31 48 1 0 M END