1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA Chemeo Renderer - https://www.chemeo.com More info - https://www.chemeo.com/cid/30-662-3 26 27 0 0 0 0 0 0 0 0999 V2000 5.0407 -2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0822 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 -0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 -0.0074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 2.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7073 0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2272 -0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7261 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1325 0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8848 1.8224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8251 3.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2687 -1.6676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7886 -3.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7902 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 -2.5682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6021 -0.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0806 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0391 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6005 1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1204 2.9191 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 0.9921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1935 2.0320 0.0000 F 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 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 11 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 2 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 18 7 1 0 14 10 1 0 M END