COMPND HMDB0039862 HETATM 1 O1 UNL 1 -6.601 1.819 1.095 1.00 0.00 O HETATM 2 C1 UNL 1 -5.476 0.960 1.104 1.00 0.00 C HETATM 3 C2 UNL 1 -4.372 1.750 1.788 1.00 0.00 C HETATM 4 O2 UNL 1 -3.199 1.090 1.922 1.00 0.00 O HETATM 5 C3 UNL 1 -2.320 1.075 0.870 1.00 0.00 C HETATM 6 O3 UNL 1 -1.320 0.167 1.172 1.00 0.00 O HETATM 7 C4 UNL 1 -1.115 -0.813 0.265 1.00 0.00 C HETATM 8 C5 UNL 1 0.341 -0.593 -0.219 1.00 0.00 C HETATM 9 C6 UNL 1 0.360 -1.284 -1.531 1.00 0.00 C HETATM 10 C7 UNL 1 0.811 -0.704 -2.705 1.00 0.00 C HETATM 11 O4 UNL 1 1.298 0.590 -2.693 1.00 0.00 O HETATM 12 C8 UNL 1 0.741 -1.477 -3.863 1.00 0.00 C HETATM 13 C9 UNL 1 0.255 -2.758 -3.875 1.00 0.00 C HETATM 14 O5 UNL 1 0.229 -3.448 -5.073 1.00 0.00 O HETATM 15 C10 UNL 1 -0.178 -3.289 -2.690 1.00 0.00 C HETATM 16 C11 UNL 1 -0.134 -2.570 -1.519 1.00 0.00 C HETATM 17 O6 UNL 1 -0.559 -3.054 -0.310 1.00 0.00 O HETATM 18 C12 UNL 1 -1.172 -2.244 0.715 1.00 0.00 C HETATM 19 C13 UNL 1 -2.545 -2.759 0.882 1.00 0.00 C HETATM 20 C14 UNL 1 -3.414 -2.250 1.849 1.00 0.00 C HETATM 21 C15 UNL 1 -4.675 -2.744 1.937 1.00 0.00 C HETATM 22 C16 UNL 1 -5.107 -3.758 1.071 1.00 0.00 C HETATM 23 O7 UNL 1 -6.408 -4.209 1.222 1.00 0.00 O HETATM 24 C17 UNL 1 -4.280 -4.281 0.118 1.00 0.00 C HETATM 25 O8 UNL 1 -4.696 -5.296 -0.750 1.00 0.00 O HETATM 26 C18 UNL 1 -2.999 -3.749 0.056 1.00 0.00 C HETATM 27 O9 UNL 1 -0.361 -2.438 1.843 1.00 0.00 O HETATM 28 C19 UNL 1 0.984 -2.111 1.711 1.00 0.00 C HETATM 29 C20 UNL 1 1.912 -2.679 2.545 1.00 0.00 C HETATM 30 C21 UNL 1 3.261 -2.343 2.407 1.00 0.00 C HETATM 31 O10 UNL 1 4.142 -2.944 3.266 1.00 0.00 O HETATM 32 C22 UNL 1 3.616 -1.425 1.409 1.00 0.00 C HETATM 33 C23 UNL 1 2.647 -0.883 0.603 1.00 0.00 C HETATM 34 C24 UNL 1 1.306 -1.199 0.709 1.00 0.00 C HETATM 35 O11 UNL 1 3.155 0.043 -0.335 1.00 0.00 O HETATM 36 C25 UNL 1 4.122 0.987 0.184 1.00 0.00 C HETATM 37 C26 UNL 1 4.406 2.042 -0.777 1.00 0.00 C HETATM 38 C27 UNL 1 4.485 3.351 -0.284 1.00 0.00 C HETATM 39 C28 UNL 1 4.678 4.428 -1.083 1.00 0.00 C HETATM 40 C29 UNL 1 4.810 4.293 -2.468 1.00 0.00 C HETATM 41 O12 UNL 1 5.002 5.348 -3.318 1.00 0.00 O HETATM 42 C30 UNL 1 4.736 3.000 -2.963 1.00 0.00 C HETATM 43 O13 UNL 1 4.853 2.718 -4.311 1.00 0.00 O HETATM 44 C31 UNL 1 4.536 1.901 -2.108 1.00 0.00 C HETATM 45 C32 UNL 1 5.303 0.266 0.706 1.00 0.00 C HETATM 46 O14 UNL 1 6.365 0.298 -0.221 1.00 0.00 O HETATM 47 C33 UNL 1 5.033 -1.117 1.194 1.00 0.00 C HETATM 48 C34 UNL 1 -1.832 2.504 0.719 1.00 0.00 C HETATM 49 O15 UNL 1 -0.958 2.684 -0.349 1.00 0.00 O HETATM 50 C35 UNL 1 -3.077 3.306 0.297 1.00 0.00 C HETATM 51 O16 UNL 1 -2.674 4.636 0.302 1.00 0.00 O HETATM 52 C36 UNL 1 -4.207 3.126 1.239 1.00 0.00 C HETATM 53 O17 UNL 1 -4.236 4.109 2.257 1.00 0.00 O HETATM 54 H1 UNL 1 -6.542 2.462 1.843 1.00 0.00 H HETATM 55 H2 UNL 1 -5.260 0.766 0.035 1.00 0.00 H HETATM 56 H3 UNL 1 -5.719 0.082 1.701 1.00 0.00 H HETATM 57 H4 UNL 1 -4.758 1.897 2.850 1.00 0.00 H HETATM 58 H5 UNL 1 -2.858 0.823 -0.061 1.00 0.00 H HETATM 59 H6 UNL 1 -1.789 -0.762 -0.626 1.00 0.00 H HETATM 60 H7 UNL 1 0.597 0.469 -0.288 1.00 0.00 H HETATM 61 H8 UNL 1 1.594 0.974 -3.578 1.00 0.00 H HETATM 62 H9 UNL 1 1.096 -1.011 -4.776 1.00 0.00 H HETATM 63 H10 UNL 1 -0.145 -4.405 -5.074 1.00 0.00 H HETATM 64 H11 UNL 1 -0.566 -4.307 -2.651 1.00 0.00 H HETATM 65 H12 UNL 1 -3.010 -1.482 2.491 1.00 0.00 H HETATM 66 H13 UNL 1 -5.348 -2.337 2.686 1.00 0.00 H HETATM 67 H14 UNL 1 -6.734 -4.944 0.592 1.00 0.00 H HETATM 68 H15 UNL 1 -4.082 -5.690 -1.447 1.00 0.00 H HETATM 69 H16 UNL 1 -2.360 -4.196 -0.726 1.00 0.00 H HETATM 70 H17 UNL 1 1.602 -3.385 3.319 1.00 0.00 H HETATM 71 H18 UNL 1 5.134 -2.814 3.249 1.00 0.00 H HETATM 72 H19 UNL 1 3.586 1.476 1.077 1.00 0.00 H HETATM 73 H20 UNL 1 4.388 3.492 0.794 1.00 0.00 H HETATM 74 H21 UNL 1 4.738 5.461 -0.735 1.00 0.00 H HETATM 75 H22 UNL 1 5.038 6.305 -2.972 1.00 0.00 H HETATM 76 H23 UNL 1 5.005 3.417 -5.012 1.00 0.00 H HETATM 77 H24 UNL 1 4.484 0.895 -2.547 1.00 0.00 H HETATM 78 H25 UNL 1 5.706 0.826 1.623 1.00 0.00 H HETATM 79 H26 UNL 1 7.159 -0.016 0.249 1.00 0.00 H HETATM 80 H27 UNL 1 5.419 -1.835 0.377 1.00 0.00 H HETATM 81 H28 UNL 1 5.655 -1.312 2.114 1.00 0.00 H HETATM 82 H29 UNL 1 -1.505 2.935 1.663 1.00 0.00 H HETATM 83 H30 UNL 1 -1.078 2.003 -1.033 1.00 0.00 H HETATM 84 H31 UNL 1 -3.295 3.000 -0.744 1.00 0.00 H HETATM 85 H32 UNL 1 -2.969 5.048 -0.564 1.00 0.00 H HETATM 86 H33 UNL 1 -5.154 3.351 0.655 1.00 0.00 H HETATM 87 H34 UNL 1 -3.502 4.741 2.030 1.00 0.00 H CONECT 1 2 54 CONECT 2 3 55 56 CONECT 3 4 52 57 CONECT 4 5 CONECT 5 6 48 58 CONECT 6 7 CONECT 7 8 18 59 CONECT 8 9 34 60 CONECT 9 10 10 16 CONECT 10 11 12 CONECT 11 61 CONECT 12 13 13 62 CONECT 13 14 15 CONECT 14 63 CONECT 15 16 16 64 CONECT 16 17 CONECT 17 18 CONECT 18 19 27 CONECT 19 20 20 26 CONECT 20 21 65 CONECT 21 22 22 66 CONECT 22 23 24 CONECT 23 67 CONECT 24 25 26 26 CONECT 25 68 CONECT 26 69 CONECT 27 28 CONECT 28 29 29 34 CONECT 29 30 70 CONECT 30 31 32 32 CONECT 31 71 CONECT 32 33 47 CONECT 33 34 34 35 CONECT 35 36 CONECT 36 37 45 72 CONECT 37 38 38 44 CONECT 38 39 73 CONECT 39 40 40 74 CONECT 40 41 42 CONECT 41 75 CONECT 42 43 44 44 CONECT 43 76 CONECT 44 77 CONECT 45 46 47 78 CONECT 46 79 CONECT 47 80 81 CONECT 48 49 50 82 CONECT 49 83 CONECT 50 51 52 84 CONECT 51 85 CONECT 52 53 86 CONECT 53 87 END