COMPND HMDB0037384 HETATM 1 O1 UNL 1 -1.101 0.251 -3.646 1.00 0.00 O HETATM 2 C1 UNL 1 -1.494 0.249 -2.368 1.00 0.00 C HETATM 3 O2 UNL 1 -0.864 1.278 -1.725 1.00 0.00 O HETATM 4 C2 UNL 1 -0.310 1.182 -0.531 1.00 0.00 C HETATM 5 C3 UNL 1 0.291 2.360 0.196 1.00 0.00 C HETATM 6 O3 UNL 1 -0.658 3.388 0.389 1.00 0.00 O HETATM 7 C4 UNL 1 -0.494 4.669 -0.093 1.00 0.00 C HETATM 8 O4 UNL 1 0.561 4.907 -0.731 1.00 0.00 O HETATM 9 C5 UNL 1 -1.447 5.748 0.087 1.00 0.00 C HETATM 10 C6 UNL 1 -2.639 5.578 0.774 1.00 0.00 C HETATM 11 C7 UNL 1 -3.508 6.638 0.914 1.00 0.00 C HETATM 12 O5 UNL 1 -4.696 6.448 1.605 1.00 0.00 O HETATM 13 C8 UNL 1 -3.209 7.893 0.372 1.00 0.00 C HETATM 14 O6 UNL 1 -4.140 8.898 0.562 1.00 0.00 O HETATM 15 C9 UNL 1 -2.032 8.073 -0.310 1.00 0.00 C HETATM 16 O7 UNL 1 -1.736 9.318 -0.847 1.00 0.00 O HETATM 17 C10 UNL 1 -1.191 7.005 -0.433 1.00 0.00 C HETATM 18 O8 UNL 1 0.777 2.068 1.511 1.00 0.00 O HETATM 19 C11 UNL 1 1.516 0.889 1.478 1.00 0.00 C HETATM 20 C12 UNL 1 2.498 0.395 2.365 1.00 0.00 C HETATM 21 O9 UNL 1 3.619 -0.069 1.638 1.00 0.00 O HETATM 22 C13 UNL 1 4.369 0.316 0.586 1.00 0.00 C HETATM 23 O10 UNL 1 4.832 1.569 0.570 1.00 0.00 O HETATM 24 C14 UNL 1 4.781 -0.493 -0.602 1.00 0.00 C HETATM 25 C15 UNL 1 5.647 0.165 -1.454 1.00 0.00 C HETATM 26 C16 UNL 1 6.359 -0.418 -2.506 1.00 0.00 C HETATM 27 O11 UNL 1 7.194 0.351 -3.288 1.00 0.00 O HETATM 28 C17 UNL 1 6.160 -1.763 -2.682 1.00 0.00 C HETATM 29 O12 UNL 1 6.837 -2.458 -3.719 1.00 0.00 O HETATM 30 C18 UNL 1 5.318 -2.487 -1.887 1.00 0.00 C HETATM 31 O13 UNL 1 5.217 -3.823 -2.157 1.00 0.00 O HETATM 32 C19 UNL 1 4.603 -1.843 -0.824 1.00 0.00 C HETATM 33 C20 UNL 1 3.690 -2.829 -0.187 1.00 0.00 C HETATM 34 C21 UNL 1 2.280 -2.934 -0.235 1.00 0.00 C HETATM 35 C22 UNL 1 1.724 -4.040 0.475 1.00 0.00 C HETATM 36 C23 UNL 1 2.470 -4.952 1.159 1.00 0.00 C HETATM 37 O14 UNL 1 1.838 -6.027 1.843 1.00 0.00 O HETATM 38 C24 UNL 1 3.827 -4.823 1.179 1.00 0.00 C HETATM 39 O15 UNL 1 4.573 -5.770 1.883 1.00 0.00 O HETATM 40 C25 UNL 1 4.430 -3.783 0.519 1.00 0.00 C HETATM 41 O16 UNL 1 5.833 -3.765 0.610 1.00 0.00 O HETATM 42 C26 UNL 1 1.331 -2.200 -1.015 1.00 0.00 C HETATM 43 O17 UNL 1 0.660 -3.020 -1.841 1.00 0.00 O HETATM 44 O18 UNL 1 0.859 -0.953 -1.224 1.00 0.00 O HETATM 45 C27 UNL 1 0.710 0.122 -0.479 1.00 0.00 C HETATM 46 C28 UNL 1 0.575 -0.136 1.031 1.00 0.00 C HETATM 47 O19 UNL 1 0.385 -1.399 1.384 1.00 0.00 O HETATM 48 C29 UNL 1 -0.829 -1.895 1.879 1.00 0.00 C HETATM 49 O20 UNL 1 -0.682 -2.938 2.634 1.00 0.00 O HETATM 50 C30 UNL 1 -2.190 -1.424 1.679 1.00 0.00 C HETATM 51 C31 UNL 1 -2.833 -1.061 2.903 1.00 0.00 C HETATM 52 C32 UNL 1 -4.125 -0.647 2.946 1.00 0.00 C HETATM 53 O21 UNL 1 -4.713 -0.299 4.159 1.00 0.00 O HETATM 54 C33 UNL 1 -4.833 -0.581 1.753 1.00 0.00 C HETATM 55 O22 UNL 1 -6.177 -0.142 1.845 1.00 0.00 O HETATM 56 C34 UNL 1 -4.280 -0.917 0.556 1.00 0.00 C HETATM 57 C35 UNL 1 -2.927 -1.345 0.507 1.00 0.00 C HETATM 58 C36 UNL 1 -2.549 -1.694 -0.863 1.00 0.00 C HETATM 59 C37 UNL 1 -2.446 -0.782 -1.987 1.00 0.00 C HETATM 60 C38 UNL 1 -3.395 -0.898 -2.990 1.00 0.00 C HETATM 61 C39 UNL 1 -4.721 -1.439 -2.775 1.00 0.00 C HETATM 62 O23 UNL 1 -5.645 -1.416 -3.582 1.00 0.00 O HETATM 63 C40 UNL 1 -4.952 -2.081 -1.431 1.00 0.00 C HETATM 64 O24 UNL 1 -6.020 -2.877 -1.339 1.00 0.00 O HETATM 65 O25 UNL 1 -5.019 -0.863 -0.628 1.00 0.00 O HETATM 66 C41 UNL 1 -3.637 -2.804 -1.197 1.00 0.00 C HETATM 67 O26 UNL 1 -3.216 -3.357 -2.379 1.00 0.00 O HETATM 68 O27 UNL 1 -3.641 -3.659 -0.134 1.00 0.00 O HETATM 69 H1 UNL 1 -1.227 0.975 0.158 1.00 0.00 H HETATM 70 H2 UNL 1 1.165 2.720 -0.388 1.00 0.00 H HETATM 71 H3 UNL 1 -2.850 4.598 1.186 1.00 0.00 H HETATM 72 H4 UNL 1 -5.335 7.225 1.709 1.00 0.00 H HETATM 73 H5 UNL 1 -3.948 9.826 0.176 1.00 0.00 H HETATM 74 H6 UNL 1 -0.877 9.491 -1.357 1.00 0.00 H HETATM 75 H7 UNL 1 -0.257 7.157 -0.978 1.00 0.00 H HETATM 76 H8 UNL 1 2.212 1.289 0.584 1.00 0.00 H HETATM 77 H9 UNL 1 2.100 -0.587 2.829 1.00 0.00 H HETATM 78 H10 UNL 1 2.749 0.949 3.308 1.00 0.00 H HETATM 79 H11 UNL 1 5.795 1.256 -1.317 1.00 0.00 H HETATM 80 H12 UNL 1 7.730 0.028 -4.048 1.00 0.00 H HETATM 81 H13 UNL 1 7.448 -1.915 -4.294 1.00 0.00 H HETATM 82 H14 UNL 1 5.666 -4.349 -2.837 1.00 0.00 H HETATM 83 H15 UNL 1 0.653 -4.232 0.500 1.00 0.00 H HETATM 84 H16 UNL 1 0.851 -6.133 1.837 1.00 0.00 H HETATM 85 H17 UNL 1 4.079 -6.512 2.348 1.00 0.00 H HETATM 86 H18 UNL 1 6.352 -3.043 0.187 1.00 0.00 H HETATM 87 H19 UNL 1 1.684 0.696 -0.732 1.00 0.00 H HETATM 88 H20 UNL 1 -0.446 0.322 1.412 1.00 0.00 H HETATM 89 H21 UNL 1 -2.288 -1.139 3.865 1.00 0.00 H HETATM 90 H22 UNL 1 -4.183 -0.355 4.996 1.00 0.00 H HETATM 91 H23 UNL 1 -6.577 0.105 2.735 1.00 0.00 H HETATM 92 H24 UNL 1 -1.669 -2.381 -0.757 1.00 0.00 H HETATM 93 H25 UNL 1 -3.216 -0.599 -4.009 1.00 0.00 H HETATM 94 H26 UNL 1 -5.886 -3.834 -1.261 1.00 0.00 H HETATM 95 H27 UNL 1 -3.925 -3.706 -2.952 1.00 0.00 H HETATM 96 H28 UNL 1 -3.214 -4.513 -0.387 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 59 CONECT 3 4 CONECT 4 5 45 69 CONECT 5 6 18 70 CONECT 6 7 CONECT 7 8 8 9 CONECT 9 10 10 17 CONECT 10 11 71 CONECT 11 12 13 13 CONECT 12 72 CONECT 13 14 15 CONECT 14 73 CONECT 15 16 17 17 CONECT 16 74 CONECT 17 75 CONECT 18 19 CONECT 19 20 46 76 CONECT 20 21 77 78 CONECT 21 22 CONECT 22 23 23 24 CONECT 24 25 25 32 CONECT 25 26 79 CONECT 26 27 28 28 CONECT 27 80 CONECT 28 29 30 CONECT 29 81 CONECT 30 31 32 32 CONECT 31 82 CONECT 32 33 CONECT 33 34 34 40 CONECT 34 35 42 CONECT 35 36 36 83 CONECT 36 37 38 CONECT 37 84 CONECT 38 39 40 40 CONECT 39 85 CONECT 40 41 CONECT 41 86 CONECT 42 43 43 44 CONECT 44 45 CONECT 45 46 87 CONECT 46 47 88 CONECT 47 48 CONECT 48 49 49 50 CONECT 50 51 51 57 CONECT 51 52 89 CONECT 52 53 54 54 CONECT 53 90 CONECT 54 55 56 CONECT 55 91 CONECT 56 57 57 65 CONECT 57 58 CONECT 58 59 66 92 CONECT 59 60 60 CONECT 60 61 93 CONECT 61 62 62 63 CONECT 63 64 65 66 CONECT 64 94 CONECT 66 67 68 CONECT 67 95 CONECT 68 96 END