HMDB0029905 RDKit 3D Artonin T 59 63 0 0 0 0 0 0 0 0999 V2000 -4.0076 -5.1336 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -4.0418 0.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4811 -2.7388 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4373 -1.7395 0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 -0.4631 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9697 0.5406 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -0.1301 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2971 1.1641 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1711 2.0529 -0.4762 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 1.4038 -0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 0.3341 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -0.8881 -0.2442 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7619 -1.1330 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 -2.4373 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 0.5962 -0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3037 -0.3799 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 -1.6377 -0.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6202 0.0092 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 -0.9954 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -1.2487 1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9811 -2.4351 1.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 -3.6674 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1925 -2.5549 3.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 1.3273 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 1.7251 -1.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 2.2890 -1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 1.8572 -1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 2.9745 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 2.8132 -0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6505 4.1401 -1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2748 5.3351 -1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7577 4.3796 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 3.6447 -1.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 -5.5262 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 -4.8114 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 -5.9086 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4731 -2.0120 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9483 0.4496 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -3.1817 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -2.4622 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -0.6880 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 -1.9426 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 -0.3400 1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2931 -3.5700 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -4.0751 0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 -4.4360 1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 -3.5860 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3009 -2.1589 3.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0394 -1.8567 3.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1364 1.2327 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1922 2.9535 -2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 3.2857 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 3.3410 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 5.0504 -2.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 6.2163 -1.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 5.5995 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 3.6185 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 4.4787 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 5.3671 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 11 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 3 21 22 1 0 21 23 1 0 18 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 14 3 1 0 27 15 1 0 13 7 1 0 33 26 1 0 29 10 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 6 38 1 0 14 39 1 0 17 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 23 49 1 0 25 50 1 0 28 51 1 0 29 52 1 0 29 53 1 0 31 54 1 0 31 55 1 0 31 56 1 0 32 57 1 0 32 58 1 0 32 59 1 0 M END