HMDB0030217 RDKit 3D Launobine 40 44 0 0 0 0 0 0 0 0999 V2000 -5.5564 -0.8807 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4341 -0.0244 -0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 -0.5056 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 -1.8754 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -2.4149 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 -1.5845 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -0.2081 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 0.3391 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 1.6548 -0.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4017 0.6221 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3013 1.9946 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 2.7508 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 2.1221 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 0.7746 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.0210 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8464 -1.4308 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -2.2764 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 -1.8719 -0.3952 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0467 -1.0211 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 -0.0040 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 4.0817 0.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 4.0775 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 2.8848 -0.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4973 -0.2956 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5303 -1.5540 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4739 -1.4772 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 -2.5392 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -3.4907 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 2.0118 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 2.7200 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 -1.5877 1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -2.9651 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -2.9981 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -2.0739 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 -1.6322 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0366 -0.4287 -1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 -0.5676 1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 0.6471 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 4.0774 -1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 4.9284 -0.1416 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 2 0 8 9 1 0 7 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 12 21 1 0 21 22 1 0 22 23 1 0 8 3 1 0 15 10 1 0 17 6 1 0 23 11 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 9 29 1 0 13 30 1 0 16 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 19 36 1 0 20 37 1 0 20 38 1 0 22 39 1 0 22 40 1 0 M END