HMDB0015586 RDKit 3D Cyclandelate 44 45 0 0 0 0 0 0 0 0999 V2000 -4.1749 1.0192 1.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9472 0.2294 1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9612 1.2350 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 0.6586 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 0.5567 0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 1.1962 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 1.9339 -0.4239 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8058 1.0881 1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 0.2380 2.4658 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 0.5752 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 1.3391 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 0.7478 -0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9616 -0.6271 -0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9547 -1.3952 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -0.7881 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0976 -0.6760 -0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 -0.9049 -0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -2.3474 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -0.0152 -1.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4279 -0.7450 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.2959 2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8977 1.8726 2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7497 1.3624 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -0.2982 2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 1.8003 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 1.9944 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5866 1.3605 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 2.0774 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -0.4509 2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9043 2.4049 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7286 1.3174 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7565 -1.0873 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 -2.4681 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 -1.4303 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5301 -0.7724 -1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -1.4719 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 -2.5262 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 -3.0088 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 -2.5238 -2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 -0.5228 -2.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 0.9811 -1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1322 0.0684 -1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 -1.7597 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4674 -0.5332 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 4 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 2 1 0 15 10 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 8 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 M END