COMPND HMDB0034629 HETATM 1 C1 UNL 1 5.022 2.806 -1.342 1.00 0.00 C HETATM 2 O1 UNL 1 4.674 1.520 -0.843 1.00 0.00 O HETATM 3 C2 UNL 1 5.535 0.470 -0.782 1.00 0.00 C HETATM 4 O2 UNL 1 6.725 0.728 -1.222 1.00 0.00 O HETATM 5 C3 UNL 1 5.321 -0.852 -0.326 1.00 0.00 C HETATM 6 C4 UNL 1 4.267 -1.362 0.210 1.00 0.00 C HETATM 7 C5 UNL 1 3.030 -0.689 0.498 1.00 0.00 C HETATM 8 C6 UNL 1 2.825 0.600 0.887 1.00 0.00 C HETATM 9 C7 UNL 1 1.555 1.109 1.003 1.00 0.00 C HETATM 10 O3 UNL 1 1.359 2.439 1.402 1.00 0.00 O HETATM 11 C8 UNL 1 2.494 3.231 1.680 1.00 0.00 C HETATM 12 C9 UNL 1 0.420 0.366 0.742 1.00 0.00 C HETATM 13 C10 UNL 1 0.592 -0.941 0.350 1.00 0.00 C HETATM 14 C11 UNL 1 1.855 -1.441 0.235 1.00 0.00 C HETATM 15 C12 UNL 1 -0.771 -1.495 0.139 1.00 0.00 C HETATM 16 C13 UNL 1 -0.872 -2.921 0.575 1.00 0.00 C HETATM 17 O4 UNL 1 0.031 -3.677 -0.165 1.00 0.00 O HETATM 18 C14 UNL 1 -1.601 -0.574 1.021 1.00 0.00 C HETATM 19 C15 UNL 1 -3.024 -0.549 0.622 1.00 0.00 C HETATM 20 C16 UNL 1 -3.943 -1.101 1.490 1.00 0.00 C HETATM 21 C17 UNL 1 -5.292 -1.120 1.198 1.00 0.00 C HETATM 22 C18 UNL 1 -5.740 -0.579 0.017 1.00 0.00 C HETATM 23 O5 UNL 1 -7.094 -0.576 -0.319 1.00 0.00 O HETATM 24 C19 UNL 1 -4.831 -0.024 -0.858 1.00 0.00 C HETATM 25 O6 UNL 1 -5.305 0.512 -2.035 1.00 0.00 O HETATM 26 C20 UNL 1 -4.472 1.108 -3.012 1.00 0.00 C HETATM 27 C21 UNL 1 -3.473 -0.010 -0.554 1.00 0.00 C HETATM 28 O7 UNL 1 -0.949 0.665 0.790 1.00 0.00 O HETATM 29 H1 UNL 1 5.811 3.223 -0.661 1.00 0.00 H HETATM 30 H2 UNL 1 4.126 3.452 -1.319 1.00 0.00 H HETATM 31 H3 UNL 1 5.415 2.644 -2.373 1.00 0.00 H HETATM 32 H4 UNL 1 6.195 -1.588 -0.439 1.00 0.00 H HETATM 33 H5 UNL 1 4.302 -2.474 0.500 1.00 0.00 H HETATM 34 H6 UNL 1 3.634 1.235 1.191 1.00 0.00 H HETATM 35 H7 UNL 1 3.257 3.219 0.906 1.00 0.00 H HETATM 36 H8 UNL 1 2.225 4.281 1.898 1.00 0.00 H HETATM 37 H9 UNL 1 2.986 2.817 2.609 1.00 0.00 H HETATM 38 H10 UNL 1 2.014 -2.478 -0.075 1.00 0.00 H HETATM 39 H11 UNL 1 -1.028 -1.350 -0.935 1.00 0.00 H HETATM 40 H12 UNL 1 -0.587 -2.952 1.657 1.00 0.00 H HETATM 41 H13 UNL 1 -1.895 -3.282 0.404 1.00 0.00 H HETATM 42 H14 UNL 1 -0.279 -3.656 -1.118 1.00 0.00 H HETATM 43 H15 UNL 1 -1.446 -0.890 2.056 1.00 0.00 H HETATM 44 H16 UNL 1 -3.648 -1.546 2.442 1.00 0.00 H HETATM 45 H17 UNL 1 -6.016 -1.561 1.894 1.00 0.00 H HETATM 46 H18 UNL 1 -7.784 -0.976 0.304 1.00 0.00 H HETATM 47 H19 UNL 1 -4.335 2.178 -2.760 1.00 0.00 H HETATM 48 H20 UNL 1 -3.517 0.584 -3.140 1.00 0.00 H HETATM 49 H21 UNL 1 -5.027 1.050 -3.980 1.00 0.00 H HETATM 50 H22 UNL 1 -2.742 0.428 -1.243 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 CONECT 3 4 4 5 CONECT 5 6 6 32 CONECT 6 7 33 CONECT 7 8 8 14 CONECT 8 9 34 CONECT 9 10 12 12 CONECT 10 11 CONECT 11 35 36 37 CONECT 12 13 28 CONECT 13 14 14 15 CONECT 14 38 CONECT 15 16 18 39 CONECT 16 17 40 41 CONECT 17 42 CONECT 18 19 28 43 CONECT 19 20 20 27 CONECT 20 21 44 CONECT 21 22 22 45 CONECT 22 23 24 CONECT 23 46 CONECT 24 25 27 27 CONECT 25 26 CONECT 26 47 48 49 CONECT 27 50 END