HMDB0035361 RDKit 3D Daucene 39 40 0 0 0 0 0 0 0 0999 V2000 3.6796 1.8503 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 0.9532 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8812 -0.3593 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 -1.3576 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -1.3246 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -1.8642 -1.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2367 -2.3319 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5925 -1.8982 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -0.3764 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 0.4750 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6706 1.7824 -0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 0.4148 1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1722 -0.1085 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 1.3220 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 1.5947 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 1.9638 -1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6141 2.8675 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 1.4778 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -0.6933 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9382 -1.2551 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -2.3806 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 -1.5346 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -1.4401 -1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 -2.9699 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -3.3631 0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -2.1046 1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -2.3092 -0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4167 -2.1564 0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4327 -0.1486 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9401 1.8365 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 1.9536 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5698 2.6847 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4816 0.3568 1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 -0.4801 2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 1.3598 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 1.9577 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 1.6724 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 2.6981 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5277 1.2353 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 9 13 2 0 13 14 1 0 14 15 1 0 15 2 1 0 13 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 6 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END