HMDB0030023 RDKit 3D Angeolide 56 60 0 0 0 0 0 0 0 0999 V2000 5.1985 1.9251 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 1.7082 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 0.2116 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 -0.1481 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 -0.8548 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.2915 1.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -2.1679 1.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2285 -2.7717 2.5624 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2584 -2.3072 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2687 -3.0058 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -2.3518 -1.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 -2.4782 -2.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4758 -2.1129 -1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 -1.3051 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -0.2336 -1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.1844 -2.3404 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 1.4717 -2.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 2.0730 -3.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 1.9498 -0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5586 1.0011 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 1.3708 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 2.6440 1.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 3.5999 0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2941 3.2829 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 -0.8309 -1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 -0.5859 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 -1.2283 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3652 -0.7957 1.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 2.9935 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 1.6028 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 1.3228 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 2.1406 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0675 2.2128 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -0.2627 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 -0.1898 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 0.1827 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -3.9405 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 -2.8086 -1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -1.7698 -3.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8684 -3.5175 -2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -3.0376 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.5181 -2.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 1.4008 1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 0.5431 1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 3.1778 2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4494 2.5000 2.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4888 4.6165 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 4.0419 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5108 -0.5205 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 0.4759 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1279 -1.0448 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 -0.9444 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -2.3443 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4148 -1.4651 2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3225 0.2594 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2444 -1.0596 1.2742 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 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 15 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 14 5 1 0 20 15 1 0 14 9 1 0 24 19 1 0 25 11 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 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 21 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 26 51 1 0 27 52 1 0 27 53 1 0 28 54 1 0 28 55 1 0 28 56 1 0 M END