COMPND HMDB0255480 HETATM 1 C1 UNL 1 -3.267 -5.588 0.046 1.00 0.00 C HETATM 2 C2 UNL 1 -3.211 -4.094 -0.256 1.00 0.00 C HETATM 3 C3 UNL 1 -4.005 -3.416 0.821 1.00 0.00 C HETATM 4 C4 UNL 1 -4.029 -1.940 0.603 1.00 0.00 C HETATM 5 C5 UNL 1 -2.582 -1.418 0.638 1.00 0.00 C HETATM 6 C6 UNL 1 -2.715 0.074 0.429 1.00 0.00 C HETATM 7 C7 UNL 1 -1.353 0.790 0.415 1.00 0.00 C HETATM 8 C8 UNL 1 -0.741 0.516 1.748 1.00 0.00 C HETATM 9 C9 UNL 1 0.604 1.091 2.006 1.00 0.00 C HETATM 10 C10 UNL 1 1.685 0.581 1.050 1.00 0.00 C HETATM 11 C11 UNL 1 2.958 1.272 1.449 1.00 0.00 C HETATM 12 C12 UNL 1 4.157 0.875 0.592 1.00 0.00 C HETATM 13 C13 UNL 1 3.975 1.202 -0.855 1.00 0.00 C HETATM 14 C14 UNL 1 5.084 0.885 -1.751 1.00 0.00 C HETATM 15 C15 UNL 1 5.568 -0.458 -2.025 1.00 0.00 C HETATM 16 C16 UNL 1 6.070 -1.355 -0.974 1.00 0.00 C HETATM 17 C17 UNL 1 6.577 -2.629 -1.734 1.00 0.00 C HETATM 18 C18 UNL 1 7.082 -3.601 -0.768 1.00 0.00 C HETATM 19 O1 UNL 1 6.298 -3.917 0.208 1.00 0.00 O HETATM 20 O2 UNL 1 8.299 -4.208 -0.799 1.00 0.00 O HETATM 21 N1 UNL 1 -1.670 2.197 0.221 1.00 0.00 N HETATM 22 C19 UNL 1 -0.613 3.181 0.177 1.00 0.00 C HETATM 23 C20 UNL 1 -2.986 2.702 0.049 1.00 0.00 C HETATM 24 C21 UNL 1 -3.640 3.277 1.149 1.00 0.00 C HETATM 25 C22 UNL 1 -4.925 3.762 1.057 1.00 0.00 C HETATM 26 C23 UNL 1 -5.629 3.704 -0.129 1.00 0.00 C HETATM 27 N2 UNL 1 -6.957 4.204 -0.213 1.00 0.00 N1+ HETATM 28 O3 UNL 1 -7.350 5.113 0.538 1.00 0.00 O HETATM 29 O4 UNL 1 -7.831 3.687 -1.127 1.00 0.00 O1- HETATM 30 C24 UNL 1 -4.983 3.137 -1.219 1.00 0.00 C HETATM 31 N3 UNL 1 -5.368 2.946 -2.483 1.00 0.00 N HETATM 32 O5 UNL 1 -4.382 2.382 -3.123 1.00 0.00 O HETATM 33 N4 UNL 1 -3.355 2.180 -2.364 1.00 0.00 N HETATM 34 C25 UNL 1 -3.694 2.648 -1.129 1.00 0.00 C HETATM 35 H1 UNL 1 -2.747 -5.836 0.969 1.00 0.00 H HETATM 36 H2 UNL 1 -2.877 -6.163 -0.820 1.00 0.00 H HETATM 37 H3 UNL 1 -4.343 -5.864 0.119 1.00 0.00 H HETATM 38 H4 UNL 1 -2.131 -3.792 -0.125 1.00 0.00 H HETATM 39 H5 UNL 1 -3.530 -3.878 -1.275 1.00 0.00 H HETATM 40 H6 UNL 1 -5.024 -3.853 0.915 1.00 0.00 H HETATM 41 H7 UNL 1 -3.506 -3.676 1.800 1.00 0.00 H HETATM 42 H8 UNL 1 -4.477 -1.676 -0.388 1.00 0.00 H HETATM 43 H9 UNL 1 -4.612 -1.407 1.386 1.00 0.00 H HETATM 44 H10 UNL 1 -2.205 -1.719 1.616 1.00 0.00 H HETATM 45 H11 UNL 1 -2.046 -1.812 -0.235 1.00 0.00 H HETATM 46 H12 UNL 1 -3.221 0.210 -0.526 1.00 0.00 H HETATM 47 H13 UNL 1 -3.338 0.499 1.269 1.00 0.00 H HETATM 48 H14 UNL 1 -0.774 0.428 -0.447 1.00 0.00 H HETATM 49 H15 UNL 1 -0.632 -0.591 1.842 1.00 0.00 H HETATM 50 H16 UNL 1 -1.428 0.913 2.525 1.00 0.00 H HETATM 51 H17 UNL 1 0.930 0.655 3.009 1.00 0.00 H HETATM 52 H18 UNL 1 0.664 2.169 2.160 1.00 0.00 H HETATM 53 H19 UNL 1 1.757 -0.530 1.230 1.00 0.00 H HETATM 54 H20 UNL 1 1.411 0.711 0.010 1.00 0.00 H HETATM 55 H21 UNL 1 3.241 1.075 2.494 1.00 0.00 H HETATM 56 H22 UNL 1 2.795 2.372 1.378 1.00 0.00 H HETATM 57 H23 UNL 1 5.042 1.493 0.952 1.00 0.00 H HETATM 58 H24 UNL 1 4.448 -0.157 0.785 1.00 0.00 H HETATM 59 H25 UNL 1 3.812 2.336 -0.875 1.00 0.00 H HETATM 60 H26 UNL 1 2.980 0.827 -1.205 1.00 0.00 H HETATM 61 H27 UNL 1 5.979 1.563 -1.468 1.00 0.00 H HETATM 62 H28 UNL 1 4.840 1.349 -2.783 1.00 0.00 H HETATM 63 H29 UNL 1 6.441 -0.338 -2.766 1.00 0.00 H HETATM 64 H30 UNL 1 4.849 -1.066 -2.672 1.00 0.00 H HETATM 65 H31 UNL 1 6.883 -0.966 -0.366 1.00 0.00 H HETATM 66 H32 UNL 1 5.302 -1.820 -0.305 1.00 0.00 H HETATM 67 H33 UNL 1 5.746 -3.053 -2.310 1.00 0.00 H HETATM 68 H34 UNL 1 7.385 -2.352 -2.427 1.00 0.00 H HETATM 69 H35 UNL 1 8.985 -3.965 -0.069 1.00 0.00 H HETATM 70 H36 UNL 1 0.365 2.824 -0.114 1.00 0.00 H HETATM 71 H37 UNL 1 -0.888 3.943 -0.631 1.00 0.00 H HETATM 72 H38 UNL 1 -0.631 3.825 1.102 1.00 0.00 H HETATM 73 H39 UNL 1 -3.081 3.323 2.083 1.00 0.00 H HETATM 74 H40 UNL 1 -5.434 4.211 1.914 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 38 39 CONECT 3 4 40 41 CONECT 4 5 42 43 CONECT 5 6 44 45 CONECT 6 7 46 47 CONECT 7 8 21 48 CONECT 8 9 49 50 CONECT 9 10 51 52 CONECT 10 11 53 54 CONECT 11 12 55 56 CONECT 12 13 57 58 CONECT 13 14 59 60 CONECT 14 15 61 62 CONECT 15 16 63 64 CONECT 16 17 65 66 CONECT 17 18 67 68 CONECT 18 19 19 20 CONECT 20 69 CONECT 21 22 23 CONECT 22 70 71 72 CONECT 23 24 24 34 CONECT 24 25 73 CONECT 25 26 26 74 CONECT 26 27 30 CONECT 27 28 28 29 CONECT 30 31 31 34 CONECT 31 32 CONECT 32 33 CONECT 33 34 34 END