HMDB0039062 RDKit 3D Triphasiol 49 50 0 0 0 0 0 0 0 0999 V2000 2.5640 -2.6191 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 -1.6926 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0921 -2.4049 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 -0.6272 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 -0.5570 -1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 0.3537 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9604 1.3165 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 0.9426 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7174 -0.2536 -0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1579 -1.4458 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 -1.6841 0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7103 -3.0767 0.7415 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -1.0238 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -1.3232 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8676 -1.6003 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 0.3448 0.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 1.9459 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 3.2015 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7999 3.5269 -0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3657 4.7734 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 5.0590 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 4.0666 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 4.3250 0.7899 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6582 2.8956 0.4004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 2.5695 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 -3.5331 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 -2.1154 1.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1863 -2.8828 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 -1.1852 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9999 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 -3.4936 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2016 -2.2545 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0341 -0.2040 1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 0.8699 1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 -2.0580 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -2.1361 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2946 -1.3652 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 -3.4521 1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7041 -0.7593 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8122 -0.9347 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1453 -2.3735 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1842 -2.4458 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6555 -0.7584 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9153 -1.9350 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2781 0.7981 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 1.6976 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 3.9558 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 5.5281 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 6.0244 -0.5491 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 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 8 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 7 1 0 25 19 2 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 6 33 1 0 6 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 20 48 1 0 21 49 1 0 M END