HMDB0036737 RDKit 3D delta-Patchoulene 39 41 0 0 0 0 0 0 0 0999 V2000 2.6413 1.6634 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 0.2012 -0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -0.5954 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7939 -0.8084 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7338 -0.6437 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 -0.3023 -0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2294 0.6405 -1.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2096 0.4291 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 -1.0198 -1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2646 -1.7868 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 -0.7439 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 -1.1371 2.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 0.5125 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 0.4036 0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 1.7656 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 1.8537 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 2.2158 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9973 1.9849 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -0.0735 -1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 -1.5793 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8141 -0.0714 0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -1.0634 2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1841 -1.2597 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5132 1.7067 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 0.4163 -2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 1.1199 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 -1.1203 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 -1.4046 -2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1564 -2.2373 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4952 -2.5703 -0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 -1.8234 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 -0.2874 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 -1.7757 2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -0.4964 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 1.3257 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 0.2407 1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 2.3017 1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 2.4395 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 1.5790 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 6 2 1 0 13 8 1 0 11 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END