HMDB0036467 RDKit 3D alpha-Humulene 39 39 0 0 0 0 0 0 0 0999 V2000 3.4463 -2.4271 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 -1.4243 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -0.2120 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 0.9392 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 1.4845 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0962 2.2391 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0206 3.5522 1.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 1.9999 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 0.9496 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -0.4325 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7795 -0.5709 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3544 -0.9027 -0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0794 -1.3531 -1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 -1.9603 -0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 -1.9693 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -2.2383 -0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 -3.4539 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 -2.3712 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 0.0488 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 0.7145 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 1.7917 -1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.7029 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0136 2.1567 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 4.2362 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0064 3.9134 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5013 3.3228 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9965 2.8347 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3253 0.8629 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 1.2382 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.0579 1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 -1.6507 1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 -0.2346 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5237 -0.7016 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 -0.4076 0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 -1.9904 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -1.5212 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4051 -2.6145 -1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -3.0675 0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -1.5415 1.1567 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 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 2 0 14 15 1 0 15 2 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 5 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 9 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 13 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END