HMDB0040369 RDKit 3D Huajiaosimuline 47 49 0 0 0 0 0 0 0 0999 V2000 5.8533 -0.6549 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -0.1736 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 1.2619 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -1.0670 -0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7112 -1.9885 0.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6761 -0.8802 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -0.1360 -1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6736 -0.6388 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -0.7861 1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1437 -1.9811 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -2.2222 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1283 -1.1865 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 0.0774 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 1.0775 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2318 2.3458 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 3.3281 0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5364 3.0894 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9248 1.8108 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9964 0.7842 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4039 -0.4557 -0.2669 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8131 -0.7478 -0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -1.4141 -0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8268 -2.5990 -0.7391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 0.3222 0.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8786 -0.2492 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 -1.7495 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4486 -0.2114 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -0.1963 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 1.2819 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 1.8698 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 1.7319 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 -1.8470 -2.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 -0.2769 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -0.0083 -1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 0.9387 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 -1.8390 1.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5966 -0.3874 2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2184 -0.1448 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -2.7735 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5216 -3.2058 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 2.6057 0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8429 4.3140 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2546 3.8860 0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9783 1.6191 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1288 -0.1956 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4257 -0.4992 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9209 -1.8290 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 2 0 13 24 1 0 24 8 1 0 22 12 1 0 19 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 9 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 21 45 1 0 21 46 1 0 21 47 1 0 M END