HMDB0041126 RDKit 3D Heterophylol 62 65 0 0 0 0 0 0 0 0999 V2000 4.7050 2.4462 -0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 1.2550 -0.5667 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6007 1.2897 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9555 2.5107 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 2.5977 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 3.7939 -0.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5925 5.0022 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 1.3990 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 0.1901 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9193 0.1382 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5429 -1.2021 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.2317 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7835 -1.6746 0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -2.1470 1.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -1.7309 0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -1.0865 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.8710 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 0.2496 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 1.5547 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 0.2793 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3647 1.4655 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7337 1.4431 0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4348 0.2505 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8224 0.2776 0.4939 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7424 -0.9397 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3446 -0.9069 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5904 -2.0749 0.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 -2.1301 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -3.2933 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -2.4783 -1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2047 2.9160 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7521 2.2524 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 3.1949 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5589 3.3839 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 4.8595 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 5.1993 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 5.8459 -0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 -1.7672 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -1.6754 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 -0.9006 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 -3.0038 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9579 -2.4664 2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 -1.3065 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7865 -1.3442 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6014 -2.7940 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 -1.1880 -0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -1.2073 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 -1.9375 -0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 -0.4873 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 0.1017 1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 2.3333 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 1.8455 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7868 2.3814 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2522 2.3938 0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3329 -0.5802 0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2752 -1.8792 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0045 -3.0687 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 -3.5965 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -4.1900 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7422 -3.1745 -1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 -1.5180 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0535 -2.9985 -2.1624 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 6 7 1 0 5 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 9 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 10 3 1 0 28 17 1 0 19 8 1 0 26 20 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 7 35 1 0 7 36 1 0 7 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 14 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 21 53 1 0 22 54 1 0 24 55 1 0 25 56 1 0 29 57 1 0 29 58 1 0 29 59 1 0 30 60 1 0 30 61 1 0 30 62 1 0 M END