HMDB0304950 RDKit 3D 65 68 0 0 0 0 0 0 0 0999 V2000 4.6560 -1.0289 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6755 -0.2618 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9862 -0.6697 1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -0.2575 1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6123 1.2108 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 2.0541 1.7342 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5174 1.6829 0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -0.4653 -0.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 -1.8365 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -1.5694 -1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1647 -0.1095 -1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 0.4054 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1929 -0.2109 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 0.5090 -1.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 0.3060 -0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8273 1.5342 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 1.0998 1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8365 1.3766 1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9373 0.3153 2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 0.5337 1.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0024 -0.0939 0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0828 -1.5788 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 0.3928 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 -0.3942 1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -0.1264 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 0.2923 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 1.7853 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 -1.1635 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6041 -0.4992 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7509 -2.0682 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9601 0.8062 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 -0.0445 1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -1.7366 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1515 -0.8353 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6716 -0.4660 2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 2.6627 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 -0.0839 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -2.4572 -0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3809 -2.3707 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 -1.8688 -2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 -2.1993 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5517 0.3584 -2.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1588 1.4913 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 0.0630 -3.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -1.2889 -2.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2467 0.3009 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 1.6142 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7685 -0.5197 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4481 1.7725 -0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 2.3681 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1456 0.6906 3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1459 -0.7505 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2332 1.6339 1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 0.0138 2.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4675 -2.1987 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1526 -1.8972 0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8894 -1.8373 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5774 1.4409 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -1.4810 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9032 -0.0708 2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -1.0769 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 0.6659 1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 2.1536 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 2.2563 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3704 1.9954 0.0571 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 2 0 5 7 1 0 2 8 1 0 8 9 1 0 9 10 1 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 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 8 1 0 26 11 1 0 23 12 1 0 21 15 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 22 55 1 0 22 56 1 0 22 57 1 0 23 58 1 0 24 59 1 0 24 60 1 0 25 61 1 0 25 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 M END