HMDB0029317 RDKit 3D Angelicolide 56 60 0 0 0 0 0 0 0 0999 V2000 3.8212 1.5989 2.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1804 1.1918 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 1.5089 1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 1.1459 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.5081 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 2.7767 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 2.9586 -1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2902 4.3752 -1.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 0.2141 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 0.1631 -1.5825 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6414 -1.0796 -1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 -1.7532 -2.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 -1.4244 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0255 -0.4448 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -0.2749 1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1952 -1.5917 2.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4805 -2.6462 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0614 -2.5851 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.2914 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4517 -0.9293 1.5393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 -2.3015 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2035 -3.1802 2.1139 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 -2.4379 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1599 -1.2260 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 -1.0884 -1.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -2.2580 -2.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5928 -3.5375 -2.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -3.6498 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 0.7377 3.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 1.9779 2.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 2.3778 3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6188 1.7509 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3911 0.1128 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 0.9398 2.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6097 2.5815 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 1.4870 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 1.4709 1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0202 2.9837 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 3.6340 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4461 2.2925 -2.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2513 2.9159 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 4.4749 -2.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2089 4.6035 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 5.1295 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 0.1532 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 0.4544 2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -1.4682 2.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 -1.8315 2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0632 -3.5069 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3017 -3.4039 -0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5453 -0.1856 -2.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -0.8824 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7985 -2.3599 -3.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -2.1196 -3.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 -4.4477 -2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -4.6134 -0.4323 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 1 0 7 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 9 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 19 4 1 0 28 23 1 0 14 9 1 0 24 19 1 0 18 13 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 8 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 25 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 M END