HMDB0036417 RDKit 3D 1-Epi-alpha-gurjunene 39 41 0 0 0 0 0 0 0 0999 V2000 0.0893 3.0945 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 1.8629 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 0.6502 0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 -0.3199 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 0.4097 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3835 1.8515 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 -1.6311 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 -2.5474 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 -2.2809 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2494 -2.0520 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 -0.6244 -0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 0.2133 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0839 0.4458 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4769 0.0074 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 1.6234 -1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8638 3.0371 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 3.4232 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 3.9271 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 -0.5017 1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 0.1593 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 0.3238 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 2.5839 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 2.0026 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 -1.5861 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 -2.2798 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8048 -2.3898 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 -3.6014 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1821 -3.3987 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -2.0005 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -2.2283 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 -2.6908 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 -0.4493 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 -0.3045 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1407 0.8652 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 -0.4948 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8338 -0.7409 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 2.5005 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 1.3776 -1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 1.7634 -1.8587 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 4 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 6 2 1 0 13 11 1 0 12 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 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