HMDB0035810 RDKit 3D alpha-Selinene 39 40 0 0 0 0 0 0 0 0999 V2000 3.7338 1.5876 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 0.4699 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -0.8535 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 0.5372 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.2248 -1.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 0.1599 -1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 -0.1261 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 -1.6312 -0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3914 0.5961 -1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0254 1.2543 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 0.4502 1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 -0.0142 1.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4315 -0.8198 2.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6641 0.3646 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7222 -0.0578 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 1.5357 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 2.5443 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 -0.7396 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -1.3794 -0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 -1.4487 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 1.5824 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 -1.2979 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 0.0639 -2.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 1.2561 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -0.3661 -2.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 -2.1756 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -1.8797 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6947 -1.9774 -1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 1.3977 -1.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 -0.1506 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 2.3094 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1211 1.3707 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7542 0.2500 1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -1.9084 2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 -0.7430 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 -0.4853 3.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 1.4873 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 -1.1751 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0309 0.2371 1.8048 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 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 4 1 0 14 7 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 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END