HMDB0036451 RDKit 3D (S)-gamma-Calacorene 35 36 0 0 0 0 0 0 0 0999 V2000 -0.1664 4.0458 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 2.6410 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 2.4135 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4202 1.1144 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 0.0232 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 0.2882 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2484 1.5920 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8697 -0.7477 0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.5200 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 0.2795 -0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9661 -1.8603 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 -1.9778 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0226 -2.3550 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 -1.3367 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 -1.6420 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9316 4.0523 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5854 4.6101 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 4.5248 0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 3.2457 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 0.8808 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 1.7560 0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 -0.0628 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 0.6250 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 1.1154 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.3612 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 -2.5148 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -1.7336 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 -2.4183 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 -2.8795 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -3.0890 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -3.0247 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6639 -1.3753 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5378 -0.7531 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7606 -2.3902 -0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 -2.1657 -1.6317 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 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 8 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 7 2 1 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 7 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 M END