HMDB0013688 RDKit 3D Nootkatol 40 41 0 0 0 0 0 0 0 0999 V2000 3.2682 1.4161 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 0.1636 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6253 -0.7771 1.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8761 -0.3974 -0.3011 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5249 0.5095 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 1.4059 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5729 0.8695 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2746 1.6303 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 1.1429 1.6704 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5053 1.4626 1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 -0.2908 2.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 -1.1081 0.7752 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0117 -1.0899 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 -0.6319 -0.0896 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8231 -1.2350 -1.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 -1.0080 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.7568 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 2.1473 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 -1.2966 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.5134 1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 -0.2197 2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 -1.2926 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 1.1482 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 -0.0677 -2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7032 2.4248 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 1.4817 -2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 2.7144 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9474 1.7448 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 2.3591 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 -0.6886 2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -0.4112 2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 -2.1675 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3332 -2.1059 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 -0.7088 0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 -0.4521 -0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 -1.9042 -1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -1.9115 -1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -0.4481 -2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -0.5523 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 -2.0988 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 6 14 16 1 0 16 4 1 0 14 7 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 6 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 9 28 1 1 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 1 13 33 1 0 13 34 1 0 13 35 1 0 15 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END