COMPND HMDB0038769 HETATM 1 O1 UNL 1 7.653 3.226 0.154 1.00 0.00 O HETATM 2 C1 UNL 1 8.816 2.749 0.196 1.00 0.00 C HETATM 3 O2 UNL 1 9.778 3.554 0.781 1.00 0.00 O HETATM 4 C2 UNL 1 9.137 1.406 -0.350 1.00 0.00 C HETATM 5 O3 UNL 1 8.041 0.743 -0.834 1.00 0.00 O HETATM 6 C3 UNL 1 7.175 0.286 0.156 1.00 0.00 C HETATM 7 O4 UNL 1 6.086 -0.333 -0.450 1.00 0.00 O HETATM 8 C4 UNL 1 4.755 -0.156 -0.230 1.00 0.00 C HETATM 9 C5 UNL 1 4.338 0.733 0.738 1.00 0.00 C HETATM 10 C6 UNL 1 2.986 0.894 0.939 1.00 0.00 C HETATM 11 O5 UNL 1 2.466 1.774 1.899 1.00 0.00 O HETATM 12 C7 UNL 1 2.038 0.182 0.191 1.00 0.00 C HETATM 13 C8 UNL 1 0.707 0.346 0.396 1.00 0.00 C HETATM 14 O6 UNL 1 0.318 1.137 1.259 1.00 0.00 O HETATM 15 C9 UNL 1 -0.258 -0.374 -0.363 1.00 0.00 C HETATM 16 O7 UNL 1 -1.533 -0.120 -0.058 1.00 0.00 O HETATM 17 C10 UNL 1 -2.368 -0.709 0.919 1.00 0.00 C HETATM 18 O8 UNL 1 -1.741 -0.187 2.151 1.00 0.00 O HETATM 19 C11 UNL 1 -1.955 -1.159 3.127 1.00 0.00 C HETATM 20 C12 UNL 1 -1.389 -0.714 4.418 1.00 0.00 C HETATM 21 O9 UNL 1 -1.998 0.488 4.805 1.00 0.00 O HETATM 22 C13 UNL 1 -3.432 -1.453 3.124 1.00 0.00 C HETATM 23 O10 UNL 1 -3.921 -1.541 4.419 1.00 0.00 O HETATM 24 C14 UNL 1 -4.205 -0.318 2.438 1.00 0.00 C HETATM 25 O11 UNL 1 -4.063 0.795 3.259 1.00 0.00 O HETATM 26 C15 UNL 1 -3.736 -0.099 1.016 1.00 0.00 C HETATM 27 O12 UNL 1 -4.605 -0.200 0.061 1.00 0.00 O HETATM 28 C16 UNL 1 -5.117 0.667 -0.785 1.00 0.00 C HETATM 29 O13 UNL 1 -6.443 1.088 -0.435 1.00 0.00 O HETATM 30 C17 UNL 1 -6.761 2.252 -1.122 1.00 0.00 C HETATM 31 C18 UNL 1 -8.071 2.735 -0.538 1.00 0.00 C HETATM 32 O14 UNL 1 -8.553 3.892 -1.110 1.00 0.00 O HETATM 33 C19 UNL 1 -7.008 1.934 -2.583 1.00 0.00 C HETATM 34 O15 UNL 1 -8.384 1.757 -2.817 1.00 0.00 O HETATM 35 C20 UNL 1 -6.321 0.660 -2.986 1.00 0.00 C HETATM 36 O16 UNL 1 -7.159 -0.446 -2.840 1.00 0.00 O HETATM 37 C21 UNL 1 -5.005 0.461 -2.255 1.00 0.00 C HETATM 38 O17 UNL 1 -4.096 1.331 -2.866 1.00 0.00 O HETATM 39 C22 UNL 1 0.223 -1.219 -1.289 1.00 0.00 C HETATM 40 C23 UNL 1 -0.609 -2.022 -2.146 1.00 0.00 C HETATM 41 C24 UNL 1 -1.954 -1.884 -2.223 1.00 0.00 C HETATM 42 C25 UNL 1 -2.723 -2.714 -3.069 1.00 0.00 C HETATM 43 C26 UNL 1 -2.130 -3.676 -3.834 1.00 0.00 C HETATM 44 O18 UNL 1 -2.871 -4.494 -4.669 1.00 0.00 O HETATM 45 C27 UNL 1 -0.749 -3.815 -3.755 1.00 0.00 C HETATM 46 C28 UNL 1 -0.034 -2.991 -2.920 1.00 0.00 C HETATM 47 O19 UNL 1 1.566 -1.355 -1.461 1.00 0.00 O HETATM 48 C29 UNL 1 2.442 -0.700 -0.770 1.00 0.00 C HETATM 49 C30 UNL 1 3.801 -0.843 -0.952 1.00 0.00 C HETATM 50 C31 UNL 1 7.863 -0.772 1.017 1.00 0.00 C HETATM 51 O20 UNL 1 8.024 -1.938 0.293 1.00 0.00 O HETATM 52 C32 UNL 1 9.167 -0.248 1.564 1.00 0.00 C HETATM 53 O21 UNL 1 9.002 0.440 2.766 1.00 0.00 O HETATM 54 C33 UNL 1 9.940 0.541 0.546 1.00 0.00 C HETATM 55 O22 UNL 1 10.624 -0.396 -0.254 1.00 0.00 O HETATM 56 H1 UNL 1 9.751 4.572 0.646 1.00 0.00 H HETATM 57 H2 UNL 1 9.798 1.615 -1.256 1.00 0.00 H HETATM 58 H3 UNL 1 6.841 1.130 0.784 1.00 0.00 H HETATM 59 H4 UNL 1 4.999 1.324 1.366 1.00 0.00 H HETATM 60 H5 UNL 1 3.121 2.301 2.451 1.00 0.00 H HETATM 61 H6 UNL 1 -2.233 -1.756 1.072 1.00 0.00 H HETATM 62 H7 UNL 1 -1.444 -2.109 2.787 1.00 0.00 H HETATM 63 H8 UNL 1 -0.321 -0.490 4.280 1.00 0.00 H HETATM 64 H9 UNL 1 -1.560 -1.446 5.245 1.00 0.00 H HETATM 65 H10 UNL 1 -1.691 0.653 5.726 1.00 0.00 H HETATM 66 H11 UNL 1 -3.669 -2.391 2.581 1.00 0.00 H HETATM 67 H12 UNL 1 -4.886 -1.629 4.472 1.00 0.00 H HETATM 68 H13 UNL 1 -5.261 -0.631 2.515 1.00 0.00 H HETATM 69 H14 UNL 1 -4.640 0.650 4.056 1.00 0.00 H HETATM 70 H15 UNL 1 -3.450 1.025 1.026 1.00 0.00 H HETATM 71 H16 UNL 1 -4.585 1.653 -0.571 1.00 0.00 H HETATM 72 H17 UNL 1 -6.024 3.058 -1.022 1.00 0.00 H HETATM 73 H18 UNL 1 -7.891 2.868 0.561 1.00 0.00 H HETATM 74 H19 UNL 1 -8.828 1.916 -0.595 1.00 0.00 H HETATM 75 H20 UNL 1 -9.366 4.144 -0.597 1.00 0.00 H HETATM 76 H21 UNL 1 -6.677 2.821 -3.167 1.00 0.00 H HETATM 77 H22 UNL 1 -8.805 2.601 -3.147 1.00 0.00 H HETATM 78 H23 UNL 1 -6.087 0.728 -4.066 1.00 0.00 H HETATM 79 H24 UNL 1 -7.879 -0.467 -3.492 1.00 0.00 H HETATM 80 H25 UNL 1 -4.669 -0.554 -2.537 1.00 0.00 H HETATM 81 H26 UNL 1 -3.202 1.162 -2.446 1.00 0.00 H HETATM 82 H27 UNL 1 -2.526 -1.153 -1.709 1.00 0.00 H HETATM 83 H28 UNL 1 -3.796 -2.625 -3.137 1.00 0.00 H HETATM 84 H29 UNL 1 -2.490 -5.210 -5.248 1.00 0.00 H HETATM 85 H30 UNL 1 -0.282 -4.570 -4.362 1.00 0.00 H HETATM 86 H31 UNL 1 1.049 -3.144 -2.897 1.00 0.00 H HETATM 87 H32 UNL 1 4.129 -1.540 -1.712 1.00 0.00 H HETATM 88 H33 UNL 1 7.196 -0.980 1.869 1.00 0.00 H HETATM 89 H34 UNL 1 7.232 -2.519 0.483 1.00 0.00 H HETATM 90 H35 UNL 1 9.791 -1.156 1.815 1.00 0.00 H HETATM 91 H36 UNL 1 9.897 0.713 3.069 1.00 0.00 H HETATM 92 H37 UNL 1 10.731 1.111 1.099 1.00 0.00 H HETATM 93 H38 UNL 1 9.969 -0.873 -0.811 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 56 CONECT 4 5 54 57 CONECT 5 6 CONECT 6 7 50 58 CONECT 7 8 CONECT 8 9 9 49 CONECT 9 10 59 CONECT 10 11 12 12 CONECT 11 60 CONECT 12 13 48 CONECT 13 14 14 15 CONECT 15 16 39 39 CONECT 16 17 CONECT 17 18 26 61 CONECT 18 19 CONECT 19 20 22 62 CONECT 20 21 63 64 CONECT 21 65 CONECT 22 23 24 66 CONECT 23 67 CONECT 24 25 26 68 CONECT 25 69 CONECT 26 27 70 CONECT 27 28 CONECT 28 29 37 71 CONECT 29 30 CONECT 30 31 33 72 CONECT 31 32 73 74 CONECT 32 75 CONECT 33 34 35 76 CONECT 34 77 CONECT 35 36 37 78 CONECT 36 79 CONECT 37 38 80 CONECT 38 81 CONECT 39 40 47 CONECT 40 41 41 46 CONECT 41 42 82 CONECT 42 43 43 83 CONECT 43 44 45 CONECT 44 84 CONECT 45 46 46 85 CONECT 46 86 CONECT 47 48 CONECT 48 49 49 CONECT 49 87 CONECT 50 51 52 88 CONECT 51 89 CONECT 52 53 54 90 CONECT 53 91 CONECT 54 55 92 CONECT 55 93 END