COMPND HMDB0003249 HETATM 1 C1 UNL 1 5.302 -1.229 -1.408 1.00 0.00 C HETATM 2 C2 UNL 1 6.044 -0.701 -0.201 1.00 0.00 C HETATM 3 O1 UNL 1 5.280 -0.469 0.903 1.00 0.00 O HETATM 4 C3 UNL 1 4.301 0.531 0.707 1.00 0.00 C HETATM 5 O2 UNL 1 3.500 0.613 1.769 1.00 0.00 O HETATM 6 C4 UNL 1 2.186 0.534 1.818 1.00 0.00 C HETATM 7 C5 UNL 1 1.447 -0.740 1.556 1.00 0.00 C HETATM 8 O3 UNL 1 0.088 -0.531 1.695 1.00 0.00 O HETATM 9 C6 UNL 1 -0.700 -0.519 0.590 1.00 0.00 C HETATM 10 O4 UNL 1 -1.803 0.362 0.971 1.00 0.00 O HETATM 11 C7 UNL 1 -3.124 -0.085 0.814 1.00 0.00 C HETATM 12 C8 UNL 1 -3.873 0.362 -0.219 1.00 0.00 C HETATM 13 C9 UNL 1 -3.490 1.329 -1.242 1.00 0.00 C HETATM 14 C10 UNL 1 -2.425 2.159 -1.170 1.00 0.00 C HETATM 15 C11 UNL 1 -2.140 3.022 -2.217 1.00 0.00 C HETATM 16 C12 UNL 1 -2.922 3.057 -3.337 1.00 0.00 C HETATM 17 O5 UNL 1 -2.589 3.952 -4.371 1.00 0.00 O HETATM 18 C13 UNL 1 -4.010 2.226 -3.435 1.00 0.00 C HETATM 19 O6 UNL 1 -4.789 2.272 -4.570 1.00 0.00 O HETATM 20 C14 UNL 1 -4.288 1.375 -2.401 1.00 0.00 C HETATM 21 O7 UNL 1 -5.112 -0.145 -0.298 1.00 0.00 O HETATM 22 C15 UNL 1 -5.588 -1.005 0.548 1.00 0.00 C HETATM 23 C16 UNL 1 -6.883 -1.437 0.338 1.00 0.00 C HETATM 24 C17 UNL 1 -7.418 -2.349 1.220 1.00 0.00 C HETATM 25 O8 UNL 1 -8.710 -2.785 1.015 1.00 0.00 O HETATM 26 C18 UNL 1 -6.722 -2.839 2.287 1.00 0.00 C HETATM 27 C19 UNL 1 -5.403 -2.398 2.502 1.00 0.00 C HETATM 28 O9 UNL 1 -4.745 -2.909 3.576 1.00 0.00 O HETATM 29 C20 UNL 1 -4.866 -1.482 1.615 1.00 0.00 C HETATM 30 C21 UNL 1 -3.591 -1.018 1.769 1.00 0.00 C HETATM 31 O10 UNL 1 -2.826 -1.359 2.681 1.00 0.00 O HETATM 32 C22 UNL 1 -0.010 -0.140 -0.650 1.00 0.00 C HETATM 33 O11 UNL 1 -0.813 -0.356 -1.804 1.00 0.00 O HETATM 34 C23 UNL 1 1.146 -1.127 -0.889 1.00 0.00 C HETATM 35 O12 UNL 1 1.957 -0.655 -1.894 1.00 0.00 O HETATM 36 C24 UNL 1 1.818 -1.521 0.373 1.00 0.00 C HETATM 37 O13 UNL 1 1.520 -2.904 0.677 1.00 0.00 O HETATM 38 C25 UNL 1 5.153 1.831 0.635 1.00 0.00 C HETATM 39 O14 UNL 1 4.354 2.947 0.549 1.00 0.00 O HETATM 40 C26 UNL 1 6.080 1.772 -0.531 1.00 0.00 C HETATM 41 O15 UNL 1 5.419 1.886 -1.746 1.00 0.00 O HETATM 42 C27 UNL 1 6.886 0.486 -0.563 1.00 0.00 C HETATM 43 O16 UNL 1 7.937 0.577 0.331 1.00 0.00 O HETATM 44 H1 UNL 1 6.118 -1.585 -2.109 1.00 0.00 H HETATM 45 H2 UNL 1 4.689 -0.465 -1.919 1.00 0.00 H HETATM 46 H3 UNL 1 4.774 -2.142 -1.115 1.00 0.00 H HETATM 47 H4 UNL 1 6.763 -1.525 0.078 1.00 0.00 H HETATM 48 H5 UNL 1 3.811 0.440 -0.252 1.00 0.00 H HETATM 49 H6 UNL 1 1.867 0.896 2.871 1.00 0.00 H HETATM 50 H7 UNL 1 1.705 1.382 1.187 1.00 0.00 H HETATM 51 H8 UNL 1 1.700 -1.403 2.461 1.00 0.00 H HETATM 52 H9 UNL 1 -1.164 -1.546 0.401 1.00 0.00 H HETATM 53 H10 UNL 1 -1.796 2.153 -0.279 1.00 0.00 H HETATM 54 H11 UNL 1 -1.264 3.656 -2.079 1.00 0.00 H HETATM 55 H12 UNL 1 -3.187 3.958 -5.193 1.00 0.00 H HETATM 56 H13 UNL 1 -5.610 1.664 -4.679 1.00 0.00 H HETATM 57 H14 UNL 1 -5.165 0.712 -2.493 1.00 0.00 H HETATM 58 H15 UNL 1 -7.455 -1.057 -0.509 1.00 0.00 H HETATM 59 H16 UNL 1 -9.457 -2.254 1.461 1.00 0.00 H HETATM 60 H17 UNL 1 -7.172 -3.546 2.953 1.00 0.00 H HETATM 61 H18 UNL 1 -3.849 -2.743 3.895 1.00 0.00 H HETATM 62 H19 UNL 1 0.360 0.881 -0.716 1.00 0.00 H HETATM 63 H20 UNL 1 -1.411 -1.137 -1.661 1.00 0.00 H HETATM 64 H21 UNL 1 0.639 -2.061 -1.288 1.00 0.00 H HETATM 65 H22 UNL 1 2.301 -1.430 -2.406 1.00 0.00 H HETATM 66 H23 UNL 1 2.903 -1.554 0.227 1.00 0.00 H HETATM 67 H24 UNL 1 1.766 -3.099 1.606 1.00 0.00 H HETATM 68 H25 UNL 1 5.740 1.890 1.575 1.00 0.00 H HETATM 69 H26 UNL 1 3.913 3.167 1.411 1.00 0.00 H HETATM 70 H27 UNL 1 6.815 2.596 -0.468 1.00 0.00 H HETATM 71 H28 UNL 1 5.259 2.834 -1.987 1.00 0.00 H HETATM 72 H29 UNL 1 7.257 0.342 -1.596 1.00 0.00 H HETATM 73 H30 UNL 1 7.569 0.386 1.240 1.00 0.00 H CONECT 1 2 44 45 46 CONECT 2 3 42 47 CONECT 3 4 CONECT 4 5 38 48 CONECT 5 6 CONECT 6 7 49 50 CONECT 7 8 36 51 CONECT 8 9 CONECT 9 10 32 52 CONECT 10 11 CONECT 11 12 12 30 CONECT 12 13 21 CONECT 13 14 14 20 CONECT 14 15 53 CONECT 15 16 16 54 CONECT 16 17 18 CONECT 17 55 CONECT 18 19 20 20 CONECT 19 56 CONECT 20 57 CONECT 21 22 CONECT 22 23 23 29 CONECT 23 24 58 CONECT 24 25 26 26 CONECT 25 59 CONECT 26 27 60 CONECT 27 28 29 29 CONECT 28 61 CONECT 29 30 CONECT 30 31 31 CONECT 32 33 34 62 CONECT 33 63 CONECT 34 35 36 64 CONECT 35 65 CONECT 36 37 66 CONECT 37 67 CONECT 38 39 40 68 CONECT 39 69 CONECT 40 41 42 70 CONECT 41 71 CONECT 42 43 72 CONECT 43 73 END