HMDB0035213 RDKit 3D beta-Thujaplicin 24 24 0 0 0 0 0 0 0 0999 V2000 -2.1903 -0.0547 -1.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 -0.5401 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 0.0134 0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2905 -0.1681 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 1.1718 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 1.7825 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 1.1966 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -0.1377 0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -0.4343 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 -1.1938 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 -2.2864 0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 -1.2051 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -0.6134 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 1.0206 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 -0.3313 -2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 -1.6419 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 -0.1721 1.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.0790 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 -0.5030 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 1.8614 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 2.8576 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 1.8621 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5481 -1.3906 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 -2.1724 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 12 4 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 9 23 1 0 12 24 1 0 M END