HMDB0252310 RDKit 3D floctafenine 46 48 0 0 0 0 0 0 0 0999 V2000 -3.8468 -0.0226 1.3367 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -0.0643 1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 0.5595 -0.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 1.2040 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9728 0.3296 -1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3912 -0.7361 -2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8025 1.1880 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 2.2491 -1.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 -0.7283 2.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3337 -1.2649 3.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -1.8775 4.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 -1.9855 4.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -1.4653 3.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 -0.8377 2.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 -0.4143 0.8258 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 -0.0290 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 0.4650 1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 0.9190 1.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 0.8933 0.7197 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 0.4232 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 0.3820 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 0.8764 -1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3205 0.7754 -2.8643 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7769 2.1811 -1.1370 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5399 0.1026 -0.7272 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -0.0905 -2.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.5441 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 -0.5114 -1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 -0.0394 -0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 2.1596 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2371 1.5197 -1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 -0.0878 -0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9682 -1.5386 -2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5951 0.5047 -3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1724 1.5963 -3.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5318 1.9283 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 -1.1766 3.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 -2.2914 5.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3589 -2.4734 4.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -1.5884 2.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 -0.3842 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 0.5471 2.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 1.2892 2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -0.1203 -3.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 -0.9291 -3.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -0.8922 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 2 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 21 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 14 9 1 0 29 16 1 0 29 20 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 15 41 1 0 17 42 1 0 18 43 1 0 26 44 1 0 27 45 1 0 28 46 1 0 M END