HMDB0035365 RDKit 3D Cnidiol C 30 30 0 0 0 0 0 0 0 0999 V2000 3.1588 0.4772 1.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 -0.3824 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1629 -0.1007 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.7946 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8134 -1.3880 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5859 -1.5305 -1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5471 -0.9316 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8047 -0.8970 -0.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 0.4717 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 0.9712 1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4929 1.3228 -0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 0.6156 0.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 1.4161 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9045 0.2833 2.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1287 -1.3260 1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7738 1.8714 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5006 0.6219 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 0.5775 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 -2.2550 0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -1.5510 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.6027 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 -1.1028 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 -1.5821 0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 -1.6597 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 0.3762 2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 0.9129 1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 2.0371 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 2.3811 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 1.0690 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 1.1099 -1.0896 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 12 3 1 0 1 13 1 0 1 14 1 0 2 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 M END