HMDB0035992 RDKit 3D beta-Bisabolene 39 39 0 0 0 0 0 0 0 0999 V2000 0.1812 0.4208 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 0.1194 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.6813 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 1.3788 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 0.4194 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 0.2904 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7113 1.0747 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8655 -0.6700 -1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 -0.8473 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9539 -1.5930 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2867 -0.9534 -0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -0.4721 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 0.1711 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 -0.6265 1.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9366 -0.0634 1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 1.1067 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 0.0035 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 1.3601 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 -0.1133 1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 2.1662 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 1.8919 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3023 -0.1632 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5623 2.1633 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 0.8611 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7974 0.8431 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 -1.5777 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7871 -0.9930 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 -0.1656 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 -1.6192 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 -1.7798 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 -2.6263 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6678 -0.8908 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1004 -0.4903 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5019 0.5354 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 1.1112 0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -0.1331 2.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2777 -1.7007 1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 1.0013 1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 -0.1213 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 6 8 1 0 2 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 9 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END