HMDB0035161 RDKit 3D 2,7,10-Bisabolatriene 39 39 0 0 0 0 0 0 0 0999 V2000 5.1800 -1.0680 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2255 -0.1252 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 0.9808 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -0.2453 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 0.7073 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0609 -0.1103 1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 -0.3027 0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 -1.2121 1.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 0.3613 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9918 1.3813 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 1.3625 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9355 0.2890 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 0.2846 -1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -0.9842 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 -0.6551 -0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -1.3303 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7091 -2.0180 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7379 -0.5585 -1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4195 1.9529 0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 1.0196 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4129 0.8731 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -1.0678 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4886 1.2633 -0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 1.4202 0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -0.6565 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -0.7805 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0656 -2.2214 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2116 -1.2638 2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 0.9070 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 2.4072 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 1.2165 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9001 2.2886 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -0.6874 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9544 1.0661 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1696 0.4108 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -1.6873 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 -1.3873 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 -0.2662 -1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -1.5644 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 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 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 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