COMPND HMDB0031988 HETATM 1 O1 UNL 1 6.666 -1.017 2.826 1.00 0.00 O HETATM 2 C1 UNL 1 6.641 -0.192 1.881 1.00 0.00 C HETATM 3 C2 UNL 1 7.488 0.996 1.885 1.00 0.00 C HETATM 4 C3 UNL 1 7.480 1.877 0.901 1.00 0.00 C HETATM 5 C4 UNL 1 8.291 3.073 0.841 1.00 0.00 C HETATM 6 C5 UNL 1 9.163 3.408 1.840 1.00 0.00 C HETATM 7 C6 UNL 1 9.947 4.555 1.779 1.00 0.00 C HETATM 8 C7 UNL 1 9.832 5.369 0.673 1.00 0.00 C HETATM 9 O2 UNL 1 10.614 6.513 0.611 1.00 0.00 O HETATM 10 C8 UNL 1 8.966 5.062 -0.347 1.00 0.00 C HETATM 11 C9 UNL 1 8.194 3.902 -0.252 1.00 0.00 C HETATM 12 O3 UNL 1 5.804 -0.392 0.803 1.00 0.00 O HETATM 13 C10 UNL 1 4.945 -1.538 0.720 1.00 0.00 C HETATM 14 C11 UNL 1 4.159 -1.464 -0.554 1.00 0.00 C HETATM 15 O4 UNL 1 5.017 -1.424 -1.657 1.00 0.00 O HETATM 16 C12 UNL 1 3.222 -0.286 -0.640 1.00 0.00 C HETATM 17 O5 UNL 1 2.131 -0.774 -1.403 1.00 0.00 O HETATM 18 C13 UNL 1 1.847 -1.957 -0.743 1.00 0.00 C HETATM 19 O6 UNL 1 1.077 -2.825 -1.475 1.00 0.00 O HETATM 20 C14 UNL 1 -0.002 -3.401 -0.937 1.00 0.00 C HETATM 21 C15 UNL 1 -1.232 -2.955 -1.753 1.00 0.00 C HETATM 22 O7 UNL 1 -1.533 -1.625 -1.560 1.00 0.00 O HETATM 23 C16 UNL 1 -2.712 -1.168 -1.059 1.00 0.00 C HETATM 24 C17 UNL 1 -3.729 -1.984 -0.670 1.00 0.00 C HETATM 25 C18 UNL 1 -4.916 -1.473 -0.166 1.00 0.00 C HETATM 26 C19 UNL 1 -5.128 -0.094 -0.032 1.00 0.00 C HETATM 27 C20 UNL 1 -6.385 0.354 0.498 1.00 0.00 C HETATM 28 C21 UNL 1 -6.698 1.656 0.652 1.00 0.00 C HETATM 29 C22 UNL 1 -7.982 2.044 1.192 1.00 0.00 C HETATM 30 O8 UNL 1 -8.771 1.106 1.505 1.00 0.00 O HETATM 31 C23 UNL 1 -8.411 3.398 1.390 1.00 0.00 C HETATM 32 C24 UNL 1 -9.695 3.630 1.921 1.00 0.00 C HETATM 33 C25 UNL 1 -10.145 4.913 2.120 1.00 0.00 C HETATM 34 C26 UNL 1 -9.394 6.021 1.823 1.00 0.00 C HETATM 35 O9 UNL 1 -9.838 7.307 2.019 1.00 0.00 O HETATM 36 C27 UNL 1 -8.144 5.809 1.307 1.00 0.00 C HETATM 37 C28 UNL 1 -7.682 4.519 1.102 1.00 0.00 C HETATM 38 O10 UNL 1 -6.414 4.407 0.580 1.00 0.00 O HETATM 39 C29 UNL 1 -4.113 0.719 -0.420 1.00 0.00 C HETATM 40 C30 UNL 1 -2.930 0.207 -0.923 1.00 0.00 C HETATM 41 O11 UNL 1 -0.806 -3.213 -3.086 1.00 0.00 O HETATM 42 C31 UNL 1 -0.932 -4.552 -3.312 1.00 0.00 C HETATM 43 C32 UNL 1 -2.370 -4.875 -3.748 1.00 0.00 C HETATM 44 O12 UNL 1 -2.465 -6.264 -3.978 1.00 0.00 O HETATM 45 C33 UNL 1 -0.477 -5.487 -2.263 1.00 0.00 C HETATM 46 O13 UNL 1 -1.530 -6.414 -2.037 1.00 0.00 O HETATM 47 C34 UNL 1 -0.057 -4.897 -0.956 1.00 0.00 C HETATM 48 O14 UNL 1 1.155 -5.488 -0.552 1.00 0.00 O HETATM 49 C35 UNL 1 3.205 -2.611 -0.625 1.00 0.00 C HETATM 50 O15 UNL 1 3.420 -3.343 -1.805 1.00 0.00 O HETATM 51 H1 UNL 1 8.149 1.160 2.730 1.00 0.00 H HETATM 52 H2 UNL 1 6.775 1.621 0.089 1.00 0.00 H HETATM 53 H3 UNL 1 9.296 2.809 2.728 1.00 0.00 H HETATM 54 H4 UNL 1 10.642 4.842 2.550 1.00 0.00 H HETATM 55 H5 UNL 1 10.318 7.404 0.972 1.00 0.00 H HETATM 56 H6 UNL 1 8.904 5.725 -1.199 1.00 0.00 H HETATM 57 H7 UNL 1 7.530 3.715 -1.087 1.00 0.00 H HETATM 58 H8 UNL 1 4.313 -1.577 1.622 1.00 0.00 H HETATM 59 H9 UNL 1 5.635 -2.404 0.689 1.00 0.00 H HETATM 60 H10 UNL 1 4.440 -1.105 -2.423 1.00 0.00 H HETATM 61 H11 UNL 1 2.872 -0.045 0.367 1.00 0.00 H HETATM 62 H12 UNL 1 3.682 0.571 -1.179 1.00 0.00 H HETATM 63 H13 UNL 1 1.483 -1.801 0.293 1.00 0.00 H HETATM 64 H14 UNL 1 -0.164 -3.066 0.101 1.00 0.00 H HETATM 65 H15 UNL 1 -2.016 -3.689 -1.500 1.00 0.00 H HETATM 66 H16 UNL 1 -3.690 -3.077 -0.723 1.00 0.00 H HETATM 67 H17 UNL 1 -5.716 -2.140 0.141 1.00 0.00 H HETATM 68 H18 UNL 1 -7.139 -0.362 0.798 1.00 0.00 H HETATM 69 H19 UNL 1 -5.911 2.316 0.339 1.00 0.00 H HETATM 70 H20 UNL 1 -10.301 2.766 2.161 1.00 0.00 H HETATM 71 H21 UNL 1 -11.139 5.062 2.531 1.00 0.00 H HETATM 72 H22 UNL 1 -9.264 8.099 1.791 1.00 0.00 H HETATM 73 H23 UNL 1 -7.519 6.643 1.058 1.00 0.00 H HETATM 74 H24 UNL 1 -5.829 5.188 0.348 1.00 0.00 H HETATM 75 H25 UNL 1 -4.172 1.778 -0.360 1.00 0.00 H HETATM 76 H26 UNL 1 -2.114 0.845 -1.235 1.00 0.00 H HETATM 77 H27 UNL 1 -0.325 -4.762 -4.253 1.00 0.00 H HETATM 78 H28 UNL 1 -2.529 -4.333 -4.700 1.00 0.00 H HETATM 79 H29 UNL 1 -3.085 -4.622 -2.961 1.00 0.00 H HETATM 80 H30 UNL 1 -3.385 -6.512 -4.178 1.00 0.00 H HETATM 81 H31 UNL 1 0.336 -6.167 -2.680 1.00 0.00 H HETATM 82 H32 UNL 1 -1.297 -7.056 -1.338 1.00 0.00 H HETATM 83 H33 UNL 1 -0.796 -5.201 -0.187 1.00 0.00 H HETATM 84 H34 UNL 1 1.257 -5.315 0.435 1.00 0.00 H HETATM 85 H35 UNL 1 3.263 -3.282 0.261 1.00 0.00 H HETATM 86 H36 UNL 1 2.723 -3.160 -2.475 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 12 CONECT 3 4 4 51 CONECT 4 5 52 CONECT 5 6 6 11 CONECT 6 7 53 CONECT 7 8 8 54 CONECT 8 9 10 CONECT 9 55 CONECT 10 11 11 56 CONECT 11 57 CONECT 12 13 CONECT 13 14 58 59 CONECT 14 15 16 49 CONECT 15 60 CONECT 16 17 61 62 CONECT 17 18 CONECT 18 19 49 63 CONECT 19 20 CONECT 20 21 47 64 CONECT 21 22 41 65 CONECT 22 23 CONECT 23 24 24 40 CONECT 24 25 66 CONECT 25 26 26 67 CONECT 26 27 39 CONECT 27 28 28 68 CONECT 28 29 69 CONECT 29 30 30 31 CONECT 31 32 32 37 CONECT 32 33 70 CONECT 33 34 34 71 CONECT 34 35 36 CONECT 35 72 CONECT 36 37 37 73 CONECT 37 38 CONECT 38 74 CONECT 39 40 40 75 CONECT 40 76 CONECT 41 42 CONECT 42 43 45 77 CONECT 43 44 78 79 CONECT 44 80 CONECT 45 46 47 81 CONECT 46 82 CONECT 47 48 83 CONECT 48 84 CONECT 49 50 85 CONECT 50 86 END