HMDB0252307 RDKit 3D Flobufen 36 37 0 0 0 0 0 0 0 0999 V2000 -4.6125 0.9058 -0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4026 0.0009 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 0.1290 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -0.2940 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 -0.6894 -1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6584 -0.2915 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 -0.6858 -1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5326 -0.6664 -1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -0.2573 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.2265 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 0.2729 -1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8019 0.2902 -0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3705 -0.2046 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7051 -0.2043 0.4827 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 -0.7145 1.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1691 -0.7215 1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 -1.2261 2.0832 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3534 0.1435 0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 0.1194 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3551 0.3665 1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9652 0.7502 2.4499 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7038 0.2881 1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 0.3274 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5481 1.4940 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7808 1.6111 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5844 -1.0540 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 -0.4362 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 1.2076 0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 -1.0123 -2.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 -0.9809 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9883 0.6596 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 0.6983 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 -1.1064 2.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8669 0.4634 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 0.4365 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1300 0.6077 0.2009 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 2 0 4 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 13 15 1 0 15 16 2 0 16 17 1 0 9 18 1 0 18 19 2 0 2 20 1 0 20 21 2 0 20 22 1 0 19 6 1 0 16 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 7 29 1 0 8 30 1 0 11 31 1 0 12 32 1 0 15 33 1 0 18 34 1 0 19 35 1 0 22 36 1 0 M END