COMPND HMDB0029237 HETATM 1 O1 UNL 1 9.504 -0.048 0.109 1.00 0.00 O HETATM 2 C1 UNL 1 9.260 -0.783 -0.889 1.00 0.00 C HETATM 3 O2 UNL 1 10.341 -1.286 -1.590 1.00 0.00 O HETATM 4 C2 UNL 1 7.868 -1.093 -1.291 1.00 0.00 C HETATM 5 C3 UNL 1 6.899 -0.406 -0.355 1.00 0.00 C HETATM 6 C4 UNL 1 5.497 -0.694 -0.727 1.00 0.00 C HETATM 7 O3 UNL 1 5.205 -1.444 -1.719 1.00 0.00 O HETATM 8 O4 UNL 1 4.421 -0.176 -0.032 1.00 0.00 O HETATM 9 C5 UNL 1 3.088 -0.468 -0.408 1.00 0.00 C HETATM 10 C6 UNL 1 2.090 0.218 0.501 1.00 0.00 C HETATM 11 O5 UNL 1 0.834 -0.123 0.066 1.00 0.00 O HETATM 12 C7 UNL 1 -0.187 0.270 0.930 1.00 0.00 C HETATM 13 O6 UNL 1 -1.381 -0.035 0.303 1.00 0.00 O HETATM 14 C8 UNL 1 -2.449 0.696 -0.040 1.00 0.00 C HETATM 15 C9 UNL 1 -2.482 2.075 0.237 1.00 0.00 C HETATM 16 C10 UNL 1 -3.563 2.852 -0.101 1.00 0.00 C HETATM 17 C11 UNL 1 -3.614 4.209 0.163 1.00 0.00 C HETATM 18 O7 UNL 1 -2.520 4.821 0.802 1.00 0.00 O HETATM 19 C12 UNL 1 -4.725 4.951 -0.198 1.00 0.00 C HETATM 20 C13 UNL 1 -5.796 4.333 -0.828 1.00 0.00 C HETATM 21 O8 UNL 1 -6.909 5.104 -1.183 1.00 0.00 O HETATM 22 C14 UNL 1 -5.725 2.989 -1.080 1.00 0.00 C HETATM 23 C15 UNL 1 -4.612 2.221 -0.724 1.00 0.00 C HETATM 24 O9 UNL 1 -4.584 0.942 -0.982 1.00 0.00 O1+ HETATM 25 C16 UNL 1 -3.538 0.161 -0.660 1.00 0.00 C HETATM 26 C17 UNL 1 -3.633 -1.242 -1.001 1.00 0.00 C HETATM 27 C18 UNL 1 -2.705 -2.208 -0.759 1.00 0.00 C HETATM 28 C19 UNL 1 -2.870 -3.549 -1.122 1.00 0.00 C HETATM 29 C20 UNL 1 -4.017 -3.963 -1.763 1.00 0.00 C HETATM 30 O10 UNL 1 -4.142 -5.305 -2.107 1.00 0.00 O HETATM 31 C21 UNL 1 -4.971 -3.005 -2.020 1.00 0.00 C HETATM 32 O11 UNL 1 -6.140 -3.382 -2.663 1.00 0.00 O HETATM 33 C22 UNL 1 -4.793 -1.683 -1.654 1.00 0.00 C HETATM 34 C23 UNL 1 0.023 -0.571 2.199 1.00 0.00 C HETATM 35 O12 UNL 1 -1.086 -0.558 3.008 1.00 0.00 O HETATM 36 C24 UNL 1 1.261 -0.006 2.860 1.00 0.00 C HETATM 37 O13 UNL 1 1.548 -0.822 3.978 1.00 0.00 O HETATM 38 C25 UNL 1 2.407 -0.187 1.902 1.00 0.00 C HETATM 39 O14 UNL 1 3.484 0.585 2.341 1.00 0.00 O HETATM 40 H1 UNL 1 10.864 -0.693 -2.219 1.00 0.00 H HETATM 41 H2 UNL 1 7.645 -0.710 -2.309 1.00 0.00 H HETATM 42 H3 UNL 1 7.698 -2.195 -1.236 1.00 0.00 H HETATM 43 H4 UNL 1 7.083 0.685 -0.434 1.00 0.00 H HETATM 44 H5 UNL 1 7.109 -0.694 0.699 1.00 0.00 H HETATM 45 H6 UNL 1 2.975 -1.571 -0.377 1.00 0.00 H HETATM 46 H7 UNL 1 2.905 -0.183 -1.485 1.00 0.00 H HETATM 47 H8 UNL 1 2.275 1.325 0.393 1.00 0.00 H HETATM 48 H9 UNL 1 -0.113 1.321 1.217 1.00 0.00 H HETATM 49 H10 UNL 1 -1.647 2.512 0.719 1.00 0.00 H HETATM 50 H11 UNL 1 -2.558 5.813 0.994 1.00 0.00 H HETATM 51 H12 UNL 1 -4.778 6.013 0.002 1.00 0.00 H HETATM 52 H13 UNL 1 -7.684 4.648 -1.640 1.00 0.00 H HETATM 53 H14 UNL 1 -6.548 2.470 -1.574 1.00 0.00 H HETATM 54 H15 UNL 1 -1.792 -1.959 -0.265 1.00 0.00 H HETATM 55 H16 UNL 1 -2.107 -4.285 -0.910 1.00 0.00 H HETATM 56 H17 UNL 1 -4.901 -5.740 -2.565 1.00 0.00 H HETATM 57 H18 UNL 1 -6.282 -4.331 -2.932 1.00 0.00 H HETATM 58 H19 UNL 1 -5.576 -0.958 -1.877 1.00 0.00 H HETATM 59 H20 UNL 1 0.305 -1.598 1.839 1.00 0.00 H HETATM 60 H21 UNL 1 -1.252 -1.458 3.353 1.00 0.00 H HETATM 61 H22 UNL 1 1.083 1.037 3.140 1.00 0.00 H HETATM 62 H23 UNL 1 0.977 -1.635 3.985 1.00 0.00 H HETATM 63 H24 UNL 1 2.721 -1.248 1.971 1.00 0.00 H HETATM 64 H25 UNL 1 4.310 0.046 2.402 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 40 CONECT 4 5 41 42 CONECT 5 6 43 44 CONECT 6 7 7 8 CONECT 8 9 CONECT 9 10 45 46 CONECT 10 11 38 47 CONECT 11 12 CONECT 12 13 34 48 CONECT 13 14 CONECT 14 15 15 25 CONECT 15 16 49 CONECT 16 17 17 23 CONECT 17 18 19 CONECT 18 50 CONECT 19 20 20 51 CONECT 20 21 22 CONECT 21 52 CONECT 22 23 23 53 CONECT 23 24 CONECT 24 25 25 CONECT 25 26 CONECT 26 27 27 33 CONECT 27 28 54 CONECT 28 29 29 55 CONECT 29 30 31 CONECT 30 56 CONECT 31 32 33 33 CONECT 32 57 CONECT 33 58 CONECT 34 35 36 59 CONECT 35 60 CONECT 36 37 38 61 CONECT 37 62 CONECT 38 39 63 CONECT 39 64 END