COMPND HMDB0036860 HETATM 1 C1 UNL 1 4.743 0.702 -1.422 1.00 0.00 C HETATM 2 C2 UNL 1 3.713 0.863 -0.311 1.00 0.00 C HETATM 3 C3 UNL 1 4.480 0.696 0.975 1.00 0.00 C HETATM 4 O1 UNL 1 5.683 0.999 1.196 1.00 0.00 O HETATM 5 O2 UNL 1 3.599 0.139 1.883 1.00 0.00 O HETATM 6 C4 UNL 1 2.563 -0.560 1.249 1.00 0.00 C HETATM 7 C5 UNL 1 1.191 0.089 1.526 1.00 0.00 C HETATM 8 O3 UNL 1 1.472 1.357 1.902 1.00 0.00 O HETATM 9 C6 UNL 1 0.472 -0.211 0.310 1.00 0.00 C HETATM 10 C7 UNL 1 0.202 -1.697 0.255 1.00 0.00 C HETATM 11 O4 UNL 1 0.647 -2.191 -0.970 1.00 0.00 O HETATM 12 C8 UNL 1 1.012 -1.131 -1.778 1.00 0.00 C HETATM 13 O5 UNL 1 0.970 -1.130 -3.042 1.00 0.00 O HETATM 14 C9 UNL 1 1.438 -0.059 -0.849 1.00 0.00 C HETATM 15 O6 UNL 1 1.158 1.195 -1.287 1.00 0.00 O HETATM 16 C10 UNL 1 -0.249 1.210 -1.376 1.00 0.00 C HETATM 17 O7 UNL 1 -0.594 2.576 -1.250 1.00 0.00 O HETATM 18 C11 UNL 1 -0.456 2.842 0.092 1.00 0.00 C HETATM 19 O8 UNL 1 0.086 3.811 0.676 1.00 0.00 O HETATM 20 C12 UNL 1 -1.122 1.681 0.739 1.00 0.00 C HETATM 21 O9 UNL 1 -2.452 2.053 0.761 1.00 0.00 O HETATM 22 C13 UNL 1 -0.757 0.534 -0.087 1.00 0.00 C HETATM 23 C14 UNL 1 -1.703 -0.531 -0.388 1.00 0.00 C HETATM 24 C15 UNL 1 -3.154 -0.434 -0.359 1.00 0.00 C HETATM 25 C16 UNL 1 -3.704 0.613 -1.338 1.00 0.00 C HETATM 26 C17 UNL 1 -3.605 -1.787 -0.986 1.00 0.00 C HETATM 27 C18 UNL 1 -3.869 -0.383 0.949 1.00 0.00 C HETATM 28 C19 UNL 1 -1.273 -1.811 0.336 1.00 0.00 C HETATM 29 O10 UNL 1 -1.706 -1.943 1.607 1.00 0.00 O HETATM 30 C20 UNL 1 2.763 -0.286 -0.239 1.00 0.00 C HETATM 31 O11 UNL 1 3.365 -1.389 -0.836 1.00 0.00 O HETATM 32 H1 UNL 1 4.560 1.443 -2.219 1.00 0.00 H HETATM 33 H2 UNL 1 5.779 0.929 -1.038 1.00 0.00 H HETATM 34 H3 UNL 1 4.781 -0.336 -1.795 1.00 0.00 H HETATM 35 H4 UNL 1 3.247 1.849 -0.374 1.00 0.00 H HETATM 36 H5 UNL 1 2.567 -1.627 1.453 1.00 0.00 H HETATM 37 H6 UNL 1 0.791 -0.465 2.408 1.00 0.00 H HETATM 38 H7 UNL 1 2.397 1.645 1.888 1.00 0.00 H HETATM 39 H8 UNL 1 0.662 -2.250 1.108 1.00 0.00 H HETATM 40 H9 UNL 1 -0.615 0.726 -2.272 1.00 0.00 H HETATM 41 H10 UNL 1 -0.834 1.597 1.819 1.00 0.00 H HETATM 42 H11 UNL 1 -2.707 2.827 0.245 1.00 0.00 H HETATM 43 H12 UNL 1 -1.462 -0.838 -1.469 1.00 0.00 H HETATM 44 H13 UNL 1 -4.505 1.231 -0.850 1.00 0.00 H HETATM 45 H14 UNL 1 -4.239 0.150 -2.205 1.00 0.00 H HETATM 46 H15 UNL 1 -2.910 1.218 -1.804 1.00 0.00 H HETATM 47 H16 UNL 1 -3.637 -2.537 -0.165 1.00 0.00 H HETATM 48 H17 UNL 1 -2.962 -2.059 -1.822 1.00 0.00 H HETATM 49 H18 UNL 1 -4.637 -1.619 -1.371 1.00 0.00 H HETATM 50 H19 UNL 1 -4.658 0.428 0.862 1.00 0.00 H HETATM 51 H20 UNL 1 -4.519 -1.290 1.158 1.00 0.00 H HETATM 52 H21 UNL 1 -3.278 -0.282 1.853 1.00 0.00 H HETATM 53 H22 UNL 1 -1.607 -2.721 -0.242 1.00 0.00 H HETATM 54 H23 UNL 1 -1.045 -2.010 2.313 1.00 0.00 H HETATM 55 H24 UNL 1 3.918 -1.825 -0.144 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 30 35 CONECT 3 4 4 5 CONECT 5 6 CONECT 6 7 30 36 CONECT 7 8 9 37 CONECT 8 38 CONECT 9 10 14 22 CONECT 10 11 28 39 CONECT 11 12 CONECT 12 13 13 14 CONECT 14 15 30 CONECT 15 16 CONECT 16 17 22 40 CONECT 17 18 CONECT 18 19 19 20 CONECT 20 21 22 41 CONECT 21 42 CONECT 22 23 CONECT 23 24 28 43 CONECT 24 25 26 27 CONECT 25 44 45 46 CONECT 26 47 48 49 CONECT 27 50 51 52 CONECT 28 29 53 CONECT 29 54 CONECT 30 31 CONECT 31 55 END