HMDB0036003 RDKit 3D alpha-Guaiene 39 40 0 0 0 0 0 0 0 0999 V2000 3.0648 1.6690 -0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8984 0.6526 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 0.0154 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5575 0.1191 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -1.3219 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 -2.0119 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8786 -1.9379 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7781 -2.9382 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 -0.6112 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.5617 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 0.8988 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9035 1.5865 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 2.9597 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 1.0283 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -0.4493 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0629 2.0360 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 2.1867 -1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 -0.5964 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8285 -0.5761 1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 0.8367 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 0.1467 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 -1.7316 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2282 -1.3009 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 -3.0787 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 -1.6003 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -2.3408 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -3.6665 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -3.4380 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 -2.3154 1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 1.9748 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 0.8516 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0841 1.5447 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 3.5381 -0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 2.9556 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 3.4700 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 1.1302 -1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0572 1.4557 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 -0.6206 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3951 -1.0822 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 11 4 1 0 15 9 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 11 31 1 0 12 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