HMDB0035961 RDKit 3D Artonin D 86 91 0 0 0 0 0 0 0 0999 V2000 -0.9232 -5.5190 -2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 -4.2317 -2.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 -3.4503 -2.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -2.2100 -1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -1.8682 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 -2.7513 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 -4.0288 -1.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9699 -2.3808 -0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 -1.1130 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2268 -0.1864 -0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 1.1689 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 2.0773 0.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9103 1.5437 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 2.7465 0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5807 3.1845 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7645 4.5883 1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9604 5.1684 1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0462 4.4084 1.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2718 4.9798 2.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8734 3.0585 2.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 2.4418 1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 1.1114 1.8302 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9475 -0.5647 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9001 0.3024 -0.5089 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -1.6569 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5471 -0.5898 -1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 -0.4573 -2.8827 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 0.2909 -1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9451 0.2604 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 1.1018 0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 2.0287 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1599 2.1051 -1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1846 1.2312 -1.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9136 1.3870 -3.3035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7992 3.0982 -2.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7017 3.9020 -1.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1154 3.8813 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7962 5.2186 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5949 3.6363 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4617 2.8972 0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 -2.6884 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 -3.1140 0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -2.8288 1.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -3.2840 3.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -4.0451 3.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 -4.4911 4.9612 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 -4.3401 2.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 -3.8828 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9376 -4.1994 0.6179 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -3.9156 -1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 -6.0409 -2.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 -5.3293 -4.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7163 -6.1567 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8991 -3.7882 -3.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3216 -1.4753 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1926 -4.6787 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 -3.1256 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8647 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 0.8104 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 3.4774 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9648 5.2256 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 6.2512 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3461 5.9885 2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7199 2.4648 2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 0.3939 1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 1.2184 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 -1.1279 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -0.4332 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1615 1.0379 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3455 0.9786 -3.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5097 3.1282 -3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1724 4.6309 -2.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7653 5.1329 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 6.0405 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4909 5.3372 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0553 4.3979 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0429 3.7395 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8209 2.6439 0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -2.2009 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0364 -2.2513 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 -3.0308 3.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3657 -3.9900 5.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -4.9448 3.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7199 -4.7578 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1538 -4.8486 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8894 -3.8745 -2.0059 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 2 0 6 7 1 0 6 8 1 0 8 9 2 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 10 23 2 0 23 24 1 0 4 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 32 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 25 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 45 47 1 0 47 48 2 0 48 49 1 0 41 50 1 0 50 2 1 0 23 5 1 0 33 28 1 0 48 42 1 0 21 15 1 0 40 31 1 0 1 51 1 0 1 52 1 0 1 53 1 0 3 54 1 0 4 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 13 59 1 0 14 60 1 0 16 61 1 0 17 62 1 0 19 63 1 0 20 64 1 0 22 65 1 0 24 66 1 0 25 67 1 0 29 68 1 0 30 69 1 0 34 70 1 0 35 71 1 0 36 72 1 0 38 73 1 0 38 74 1 0 38 75 1 0 39 76 1 0 39 77 1 0 39 78 1 0 41 79 1 0 43 80 1 0 44 81 1 0 46 82 1 0 47 83 1 0 49 84 1 0 50 85 1 0 50 86 1 0 M END