COMPND HMDB0030436 HETATM 1 O1 UNL 1 -5.129 0.950 2.353 1.00 0.00 O HETATM 2 C1 UNL 1 -4.027 0.302 2.072 1.00 0.00 C HETATM 3 O2 UNL 1 -3.477 -0.470 3.065 1.00 0.00 O HETATM 4 C2 UNL 1 -2.310 -0.196 3.832 1.00 0.00 C HETATM 5 C3 UNL 1 -1.191 0.231 2.944 1.00 0.00 C HETATM 6 O3 UNL 1 -0.302 1.079 3.623 1.00 0.00 O HETATM 7 C4 UNL 1 1.042 1.168 3.364 1.00 0.00 C HETATM 8 O4 UNL 1 1.815 1.963 3.972 1.00 0.00 O HETATM 9 C5 UNL 1 1.614 0.287 2.321 1.00 0.00 C HETATM 10 O5 UNL 1 2.866 0.260 1.974 1.00 0.00 O HETATM 11 C6 UNL 1 3.719 -0.628 1.662 1.00 0.00 C HETATM 12 O6 UNL 1 4.094 -1.645 2.396 1.00 0.00 O HETATM 13 C7 UNL 1 4.377 -0.592 0.433 1.00 0.00 C HETATM 14 C8 UNL 1 5.383 -1.542 0.192 1.00 0.00 C HETATM 15 C9 UNL 1 6.174 -1.571 -0.935 1.00 0.00 C HETATM 16 O7 UNL 1 7.136 -2.554 -1.068 1.00 0.00 O HETATM 17 C10 UNL 1 5.941 -0.594 -1.869 1.00 0.00 C HETATM 18 O8 UNL 1 6.743 -0.601 -3.037 1.00 0.00 O HETATM 19 C11 UNL 1 4.984 0.373 -1.729 1.00 0.00 C HETATM 20 O9 UNL 1 4.875 1.270 -2.746 1.00 0.00 O HETATM 21 C12 UNL 1 4.189 0.365 -0.548 1.00 0.00 C HETATM 22 C13 UNL 1 3.245 1.410 -0.544 1.00 0.00 C HETATM 23 C14 UNL 1 3.858 2.665 -0.652 1.00 0.00 C HETATM 24 O10 UNL 1 5.231 2.805 -0.676 1.00 0.00 O HETATM 25 C15 UNL 1 3.104 3.806 -0.737 1.00 0.00 C HETATM 26 O11 UNL 1 3.762 5.034 -0.842 1.00 0.00 O HETATM 27 C16 UNL 1 1.739 3.714 -0.717 1.00 0.00 C HETATM 28 O12 UNL 1 0.945 4.881 -0.804 1.00 0.00 O HETATM 29 C17 UNL 1 1.138 2.490 -0.612 1.00 0.00 C HETATM 30 C18 UNL 1 1.857 1.271 -0.519 1.00 0.00 C HETATM 31 C19 UNL 1 1.092 0.162 -0.473 1.00 0.00 C HETATM 32 O13 UNL 1 0.354 -0.002 -1.552 1.00 0.00 O HETATM 33 O14 UNL 1 0.933 -0.785 0.434 1.00 0.00 O HETATM 34 C20 UNL 1 0.669 -0.561 1.701 1.00 0.00 C HETATM 35 C21 UNL 1 -0.450 -1.063 2.536 1.00 0.00 C HETATM 36 O15 UNL 1 -1.209 -1.968 1.952 1.00 0.00 O HETATM 37 C22 UNL 1 -2.335 -2.658 1.808 1.00 0.00 C HETATM 38 O16 UNL 1 -2.774 -3.357 2.824 1.00 0.00 O HETATM 39 C23 UNL 1 -3.257 -2.818 0.668 1.00 0.00 C HETATM 40 C24 UNL 1 -3.731 -4.135 0.483 1.00 0.00 C HETATM 41 C25 UNL 1 -4.568 -4.552 -0.521 1.00 0.00 C HETATM 42 O17 UNL 1 -4.961 -5.882 -0.591 1.00 0.00 O HETATM 43 C26 UNL 1 -4.954 -3.570 -1.401 1.00 0.00 C HETATM 44 O18 UNL 1 -5.804 -3.911 -2.451 1.00 0.00 O HETATM 45 C27 UNL 1 -4.540 -2.272 -1.291 1.00 0.00 C HETATM 46 O19 UNL 1 -5.008 -1.385 -2.245 1.00 0.00 O HETATM 47 C28 UNL 1 -3.669 -1.869 -0.234 1.00 0.00 C HETATM 48 C29 UNL 1 -3.346 -0.428 -0.280 1.00 0.00 C HETATM 49 C30 UNL 1 -3.560 0.523 0.708 1.00 0.00 C HETATM 50 C31 UNL 1 -3.299 1.882 0.402 1.00 0.00 C HETATM 51 C32 UNL 1 -2.841 2.302 -0.822 1.00 0.00 C HETATM 52 O20 UNL 1 -2.597 3.661 -1.073 1.00 0.00 O HETATM 53 C33 UNL 1 -2.625 1.368 -1.793 1.00 0.00 C HETATM 54 O21 UNL 1 -2.162 1.704 -3.055 1.00 0.00 O HETATM 55 C34 UNL 1 -2.878 0.031 -1.512 1.00 0.00 C HETATM 56 O22 UNL 1 -2.648 -0.923 -2.520 1.00 0.00 O HETATM 57 H1 UNL 1 -2.053 -1.183 4.351 1.00 0.00 H HETATM 58 H2 UNL 1 -2.478 0.494 4.680 1.00 0.00 H HETATM 59 H3 UNL 1 -1.489 0.761 2.028 1.00 0.00 H HETATM 60 H4 UNL 1 5.523 -2.301 0.971 1.00 0.00 H HETATM 61 H5 UNL 1 7.271 -3.241 -0.368 1.00 0.00 H HETATM 62 H6 UNL 1 6.628 0.086 -3.769 1.00 0.00 H HETATM 63 H7 UNL 1 4.287 2.017 -2.947 1.00 0.00 H HETATM 64 H8 UNL 1 5.669 3.686 -0.757 1.00 0.00 H HETATM 65 H9 UNL 1 3.325 5.913 -0.909 1.00 0.00 H HETATM 66 H10 UNL 1 1.354 5.776 -0.880 1.00 0.00 H HETATM 67 H11 UNL 1 0.037 2.498 -0.637 1.00 0.00 H HETATM 68 H12 UNL 1 -0.037 -1.411 3.539 1.00 0.00 H HETATM 69 H13 UNL 1 -3.428 -4.931 1.194 1.00 0.00 H HETATM 70 H14 UNL 1 -5.559 -6.209 -1.300 1.00 0.00 H HETATM 71 H15 UNL 1 -6.143 -4.832 -2.592 1.00 0.00 H HETATM 72 H16 UNL 1 -5.607 -1.650 -2.975 1.00 0.00 H HETATM 73 H17 UNL 1 -3.486 2.670 1.152 1.00 0.00 H HETATM 74 H18 UNL 1 -2.756 4.349 -0.352 1.00 0.00 H HETATM 75 H19 UNL 1 -1.977 2.697 -3.253 1.00 0.00 H HETATM 76 H20 UNL 1 -2.308 -0.612 -3.420 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 49 CONECT 3 4 CONECT 4 5 57 58 CONECT 5 6 35 59 CONECT 6 7 CONECT 7 8 8 9 CONECT 9 10 34 34 CONECT 10 11 CONECT 11 12 12 13 CONECT 13 14 14 21 CONECT 14 15 60 CONECT 15 16 17 17 CONECT 16 61 CONECT 17 18 19 CONECT 18 62 CONECT 19 20 21 21 CONECT 20 63 CONECT 21 22 CONECT 22 23 23 30 CONECT 23 24 25 CONECT 24 64 CONECT 25 26 27 27 CONECT 26 65 CONECT 27 28 29 CONECT 28 66 CONECT 29 30 30 67 CONECT 30 31 CONECT 31 32 32 33 CONECT 33 34 CONECT 34 35 CONECT 35 36 68 CONECT 36 37 CONECT 37 38 38 39 CONECT 39 40 40 47 CONECT 40 41 69 CONECT 41 42 43 43 CONECT 42 70 CONECT 43 44 45 CONECT 44 71 CONECT 45 46 47 47 CONECT 46 72 CONECT 47 48 CONECT 48 49 49 55 CONECT 49 50 CONECT 50 51 51 73 CONECT 51 52 53 CONECT 52 74 CONECT 53 54 55 55 CONECT 54 75 CONECT 55 56 CONECT 56 76 END