HMDB0036022 RDKit 3D Isospirene 34 35 0 0 0 0 0 0 0 0999 V2000 0.6485 2.4302 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3204 1.4767 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 1.8913 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 1.0227 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 -0.3984 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -0.6976 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -0.6710 -0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5666 -2.1385 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.1682 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 0.3743 -1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.1437 -0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 -0.2191 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 -1.4106 0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 -0.5260 0.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 2.5009 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 2.1647 1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 3.4700 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8576 2.8811 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 1.1953 -1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 1.3095 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 -1.0622 -0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3073 -0.2318 1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1407 -0.4108 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0358 -1.8108 1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.3632 -1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4303 -2.2416 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 -2.6232 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5419 -2.6076 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 0.6628 -2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 0.2120 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5489 0.5852 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -2.3578 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 -1.3670 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 -1.3515 1.9164 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 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 9 2 1 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 M END