HMDB0259513 RDKit 3D 7-Methoxy tropisetron 45 48 0 0 0 0 0 0 0 0999 V2000 7.5498 -0.6768 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 -0.6886 -0.7478 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2015 -0.3705 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5614 -0.0452 1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 0.2731 2.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 0.2701 1.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8635 -0.0575 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6502 -0.1424 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.1050 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 0.4440 1.8324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 -0.0266 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 0.1981 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 -1.0466 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3843 -0.8369 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 -0.9897 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2421 0.3723 -2.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 1.2566 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6721 1.3790 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8198 0.5176 0.2297 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6473 0.9777 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -0.5151 -1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2548 -0.6482 -1.3658 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8707 -0.3730 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7802 -1.5281 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2052 -0.8063 -1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8337 0.2429 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 -0.0245 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 0.5246 3.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 0.5191 2.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 0.4829 1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 -1.6452 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 -1.6803 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0113 -1.5150 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1308 -1.8111 -1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7966 -1.0964 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9378 0.7834 -2.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2372 0.2244 -2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5121 2.2645 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0969 1.5737 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 2.3132 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 1.2342 1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2364 0.2271 2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0819 1.9337 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -0.6728 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -0.9206 -2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 21 2 0 21 22 1 0 22 23 1 0 23 3 1 0 23 7 2 0 18 12 1 0 19 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 22 45 1 0 M END