COMPND HMDB0030043 HETATM 1 C1 UNL 1 4.032 0.036 -1.402 1.00 0.00 C HETATM 2 C2 UNL 1 2.994 -0.370 -0.742 1.00 0.00 C HETATM 3 C3 UNL 1 2.381 -1.753 -0.930 1.00 0.00 C HETATM 4 C4 UNL 1 3.369 -2.671 -1.584 1.00 0.00 C HETATM 5 C5 UNL 1 1.205 -1.452 -1.835 1.00 0.00 C HETATM 6 C6 UNL 1 0.259 -0.621 -1.018 1.00 0.00 C HETATM 7 C7 UNL 1 -1.069 -0.894 -1.082 1.00 0.00 C HETATM 8 C8 UNL 1 -1.397 -2.024 -1.989 1.00 0.00 C HETATM 9 C9 UNL 1 -2.117 -0.140 -0.354 1.00 0.00 C HETATM 10 C10 UNL 1 -3.078 0.372 -1.391 1.00 0.00 C HETATM 11 C11 UNL 1 -4.277 -0.067 -1.598 1.00 0.00 C HETATM 12 C12 UNL 1 -4.778 -1.150 -0.780 1.00 0.00 C HETATM 13 O1 UNL 1 -5.948 -1.574 -0.985 1.00 0.00 O HETATM 14 O2 UNL 1 -3.936 -1.653 0.178 1.00 0.00 O HETATM 15 C13 UNL 1 -2.759 -1.019 0.658 1.00 0.00 C HETATM 16 C14 UNL 1 -3.249 -0.277 1.892 1.00 0.00 C HETATM 17 C15 UNL 1 -1.856 -2.118 1.176 1.00 0.00 C HETATM 18 C16 UNL 1 -1.527 1.123 0.242 1.00 0.00 C HETATM 19 O3 UNL 1 -1.413 2.191 -0.628 1.00 0.00 O HETATM 20 C17 UNL 1 -2.015 3.427 -0.480 1.00 0.00 C HETATM 21 C18 UNL 1 -1.859 4.541 -1.446 1.00 0.00 C HETATM 22 O4 UNL 1 -2.718 3.517 0.569 1.00 0.00 O HETATM 23 C19 UNL 1 -0.168 0.847 0.847 1.00 0.00 C HETATM 24 C20 UNL 1 0.837 0.471 -0.214 1.00 0.00 C HETATM 25 C21 UNL 1 0.941 1.635 -1.244 1.00 0.00 C HETATM 26 C22 UNL 1 2.210 0.353 0.279 1.00 0.00 C HETATM 27 C23 UNL 1 2.714 1.678 0.655 1.00 0.00 C HETATM 28 O5 UNL 1 3.342 2.546 0.017 1.00 0.00 O HETATM 29 O6 UNL 1 2.320 1.795 1.990 1.00 0.00 O HETATM 30 C24 UNL 1 2.496 0.522 2.639 1.00 0.00 C HETATM 31 C25 UNL 1 1.602 0.308 3.794 1.00 0.00 C HETATM 32 C26 UNL 1 2.518 -0.406 1.535 1.00 0.00 C HETATM 33 O7 UNL 1 3.890 -0.825 1.421 1.00 0.00 O HETATM 34 C27 UNL 1 1.787 -1.645 1.491 1.00 0.00 C HETATM 35 O8 UNL 1 1.152 -2.146 2.446 1.00 0.00 O HETATM 36 O9 UNL 1 1.841 -2.278 0.250 1.00 0.00 O HETATM 37 H1 UNL 1 4.485 -0.642 -2.122 1.00 0.00 H HETATM 38 H2 UNL 1 4.474 0.991 -1.287 1.00 0.00 H HETATM 39 H3 UNL 1 3.540 -2.435 -2.633 1.00 0.00 H HETATM 40 H4 UNL 1 2.975 -3.704 -1.490 1.00 0.00 H HETATM 41 H5 UNL 1 4.301 -2.645 -0.979 1.00 0.00 H HETATM 42 H6 UNL 1 1.533 -0.873 -2.730 1.00 0.00 H HETATM 43 H7 UNL 1 0.804 -2.406 -2.164 1.00 0.00 H HETATM 44 H8 UNL 1 -0.955 -1.890 -2.999 1.00 0.00 H HETATM 45 H9 UNL 1 -2.479 -2.174 -2.140 1.00 0.00 H HETATM 46 H10 UNL 1 -1.028 -2.987 -1.590 1.00 0.00 H HETATM 47 H11 UNL 1 -2.719 1.179 -2.013 1.00 0.00 H HETATM 48 H12 UNL 1 -4.897 0.374 -2.376 1.00 0.00 H HETATM 49 H13 UNL 1 -3.952 0.525 1.668 1.00 0.00 H HETATM 50 H14 UNL 1 -2.430 -0.006 2.587 1.00 0.00 H HETATM 51 H15 UNL 1 -3.850 -1.047 2.469 1.00 0.00 H HETATM 52 H16 UNL 1 -1.580 -1.957 2.260 1.00 0.00 H HETATM 53 H17 UNL 1 -0.916 -2.236 0.646 1.00 0.00 H HETATM 54 H18 UNL 1 -2.378 -3.105 1.186 1.00 0.00 H HETATM 55 H19 UNL 1 -2.191 1.385 1.119 1.00 0.00 H HETATM 56 H20 UNL 1 -1.936 5.509 -0.877 1.00 0.00 H HETATM 57 H21 UNL 1 -0.858 4.554 -1.917 1.00 0.00 H HETATM 58 H22 UNL 1 -2.662 4.562 -2.197 1.00 0.00 H HETATM 59 H23 UNL 1 -0.326 -0.075 1.445 1.00 0.00 H HETATM 60 H24 UNL 1 0.094 1.729 1.438 1.00 0.00 H HETATM 61 H25 UNL 1 0.884 2.602 -0.741 1.00 0.00 H HETATM 62 H26 UNL 1 0.248 1.497 -2.085 1.00 0.00 H HETATM 63 H27 UNL 1 1.959 1.608 -1.735 1.00 0.00 H HETATM 64 H28 UNL 1 3.519 0.684 3.123 1.00 0.00 H HETATM 65 H29 UNL 1 1.885 1.051 4.600 1.00 0.00 H HETATM 66 H30 UNL 1 1.812 -0.728 4.175 1.00 0.00 H HETATM 67 H31 UNL 1 0.520 0.344 3.612 1.00 0.00 H HETATM 68 H32 UNL 1 4.395 0.036 1.370 1.00 0.00 H CONECT 1 2 2 37 38 CONECT 2 3 26 CONECT 3 4 5 36 CONECT 4 39 40 41 CONECT 5 6 42 43 CONECT 6 7 7 24 CONECT 7 8 9 CONECT 8 44 45 46 CONECT 9 10 15 18 CONECT 10 11 11 47 CONECT 11 12 48 CONECT 12 13 13 14 CONECT 14 15 CONECT 15 16 17 CONECT 16 49 50 51 CONECT 17 52 53 54 CONECT 18 19 23 55 CONECT 19 20 CONECT 20 21 22 22 CONECT 21 56 57 58 CONECT 23 24 59 60 CONECT 24 25 26 CONECT 25 61 62 63 CONECT 26 27 32 CONECT 27 28 28 29 CONECT 29 30 CONECT 30 31 32 64 CONECT 31 65 66 67 CONECT 32 33 34 CONECT 33 68 CONECT 34 35 35 36 END