HMDB0059858 RDKit 3D beta-Calacorene 35 36 0 0 0 0 0 0 0 0999 V2000 -1.4912 3.4062 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7174 2.3169 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7581 2.4534 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 1.4346 1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 0.0178 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9906 -0.3873 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8608 -1.7654 -0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 -0.3182 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 -0.1177 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 -1.4047 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2698 -1.6345 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7762 -3.0292 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0015 -0.5352 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 0.7674 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2343 0.9632 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0045 4.3731 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5363 3.4189 -0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9156 3.4553 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 2.3710 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 1.6597 2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 1.5339 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -0.6281 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 0.3725 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 -1.9391 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9653 -2.5156 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0172 -1.9258 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 0.6387 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1761 -0.3487 1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9753 -1.1964 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 -2.2456 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -3.2226 -1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5138 -3.1630 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 -3.7302 -0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0186 -0.6867 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1327 1.6114 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 5 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 2 1 0 15 9 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 M END