COMPND HMDB0015603 HETATM 1 C1 UNL 1 -7.188 3.964 1.976 1.00 0.00 C HETATM 2 C2 UNL 1 -5.841 4.106 1.258 1.00 0.00 C HETATM 3 O1 UNL 1 -5.716 2.937 0.473 1.00 0.00 O HETATM 4 C3 UNL 1 -4.577 2.701 -0.348 1.00 0.00 C HETATM 5 O2 UNL 1 -3.742 3.616 -0.291 1.00 0.00 O HETATM 6 C4 UNL 1 -4.521 1.459 -1.137 1.00 0.00 C HETATM 7 N1 UNL 1 -3.351 1.147 -1.719 1.00 0.00 N HETATM 8 C5 UNL 1 -2.176 0.611 -1.369 1.00 0.00 C HETATM 9 C6 UNL 1 -1.431 1.299 -0.305 1.00 0.00 C HETATM 10 O3 UNL 1 -1.964 1.723 0.779 1.00 0.00 O HETATM 11 N2 UNL 1 -0.030 1.556 -0.393 1.00 0.00 N HETATM 12 C7 UNL 1 0.946 2.191 0.430 1.00 0.00 C HETATM 13 C8 UNL 1 1.704 2.536 -0.846 1.00 0.00 C HETATM 14 C9 UNL 1 0.982 1.290 -1.359 1.00 0.00 C HETATM 15 C10 UNL 1 1.745 0.051 -1.207 1.00 0.00 C HETATM 16 O4 UNL 1 2.613 -0.191 -2.114 1.00 0.00 O HETATM 17 N3 UNL 1 1.629 -0.900 -0.175 1.00 0.00 N HETATM 18 C11 UNL 1 2.428 -2.101 -0.110 1.00 0.00 C HETATM 19 C12 UNL 1 3.805 -1.756 0.338 1.00 0.00 C HETATM 20 C13 UNL 1 4.189 -0.477 0.656 1.00 0.00 C HETATM 21 C14 UNL 1 5.471 -0.195 1.062 1.00 0.00 C HETATM 22 C15 UNL 1 6.391 -1.199 1.156 1.00 0.00 C HETATM 23 C16 UNL 1 7.772 -0.936 1.588 1.00 0.00 C HETATM 24 N4 UNL 1 8.726 -1.980 1.685 1.00 0.00 N HETATM 25 N5 UNL 1 8.131 0.256 1.885 1.00 0.00 N HETATM 26 O5 UNL 1 9.413 0.565 2.297 1.00 0.00 O HETATM 27 C17 UNL 1 6.046 -2.512 0.844 1.00 0.00 C HETATM 28 C18 UNL 1 4.759 -2.774 0.439 1.00 0.00 C HETATM 29 C19 UNL 1 -2.099 -0.858 -1.004 1.00 0.00 C HETATM 30 C20 UNL 1 -2.536 -1.762 -2.129 1.00 0.00 C HETATM 31 C21 UNL 1 -2.371 -3.189 -1.624 1.00 0.00 C HETATM 32 C22 UNL 1 -3.364 -3.442 -0.534 1.00 0.00 C HETATM 33 C23 UNL 1 -3.800 -2.216 0.196 1.00 0.00 C HETATM 34 C24 UNL 1 -2.693 -1.182 0.319 1.00 0.00 C HETATM 35 H1 UNL 1 -7.204 4.464 2.942 1.00 0.00 H HETATM 36 H2 UNL 1 -7.984 4.331 1.282 1.00 0.00 H HETATM 37 H3 UNL 1 -7.426 2.889 2.163 1.00 0.00 H HETATM 38 H4 UNL 1 -5.856 4.998 0.610 1.00 0.00 H HETATM 39 H5 UNL 1 -5.073 4.153 2.048 1.00 0.00 H HETATM 40 H6 UNL 1 -5.034 0.690 -0.505 1.00 0.00 H HETATM 41 H7 UNL 1 -5.311 1.624 -1.951 1.00 0.00 H HETATM 42 H8 UNL 1 -3.337 1.380 -2.770 1.00 0.00 H HETATM 43 H9 UNL 1 -1.462 0.656 -2.265 1.00 0.00 H HETATM 44 H10 UNL 1 0.632 3.134 0.926 1.00 0.00 H HETATM 45 H11 UNL 1 1.434 1.495 1.114 1.00 0.00 H HETATM 46 H12 UNL 1 2.789 2.466 -0.788 1.00 0.00 H HETATM 47 H13 UNL 1 1.272 3.428 -1.308 1.00 0.00 H HETATM 48 H14 UNL 1 0.698 1.458 -2.423 1.00 0.00 H HETATM 49 H15 UNL 1 0.927 -0.766 0.612 1.00 0.00 H HETATM 50 H16 UNL 1 2.487 -2.600 -1.115 1.00 0.00 H HETATM 51 H17 UNL 1 2.018 -2.811 0.628 1.00 0.00 H HETATM 52 H18 UNL 1 3.428 0.297 0.569 1.00 0.00 H HETATM 53 H19 UNL 1 5.757 0.824 1.310 1.00 0.00 H HETATM 54 H20 UNL 1 9.329 -2.201 0.873 1.00 0.00 H HETATM 55 H21 UNL 1 8.805 -2.508 2.570 1.00 0.00 H HETATM 56 H22 UNL 1 9.969 1.096 1.637 1.00 0.00 H HETATM 57 H23 UNL 1 6.757 -3.333 0.910 1.00 0.00 H HETATM 58 H24 UNL 1 4.466 -3.803 0.187 1.00 0.00 H HETATM 59 H25 UNL 1 -1.008 -1.046 -0.924 1.00 0.00 H HETATM 60 H26 UNL 1 -1.884 -1.579 -2.992 1.00 0.00 H HETATM 61 H27 UNL 1 -3.600 -1.654 -2.393 1.00 0.00 H HETATM 62 H28 UNL 1 -1.351 -3.278 -1.171 1.00 0.00 H HETATM 63 H29 UNL 1 -2.466 -3.932 -2.449 1.00 0.00 H HETATM 64 H30 UNL 1 -2.984 -4.172 0.223 1.00 0.00 H HETATM 65 H31 UNL 1 -4.286 -3.907 -0.985 1.00 0.00 H HETATM 66 H32 UNL 1 -4.686 -1.711 -0.272 1.00 0.00 H HETATM 67 H33 UNL 1 -4.116 -2.453 1.233 1.00 0.00 H HETATM 68 H34 UNL 1 -3.098 -0.317 0.874 1.00 0.00 H HETATM 69 H35 UNL 1 -1.951 -1.650 1.033 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 38 39 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 40 41 CONECT 7 8 42 CONECT 8 9 29 43 CONECT 9 10 10 11 CONECT 11 12 14 CONECT 12 13 44 45 CONECT 13 14 46 47 CONECT 14 15 48 CONECT 15 16 16 17 CONECT 17 18 49 CONECT 18 19 50 51 CONECT 19 20 20 28 CONECT 20 21 52 CONECT 21 22 22 53 CONECT 22 23 27 CONECT 23 24 25 25 CONECT 24 54 55 CONECT 25 26 CONECT 26 56 CONECT 27 28 28 57 CONECT 28 58 CONECT 29 30 34 59 CONECT 30 31 60 61 CONECT 31 32 62 63 CONECT 32 33 64 65 CONECT 33 34 66 67 CONECT 34 68 69 END