COMPND HMDB0029357 HETATM 1 C1 UNL 1 8.171 -2.697 -0.244 1.00 0.00 C HETATM 2 C2 UNL 1 6.812 -3.017 0.327 1.00 0.00 C HETATM 3 C3 UNL 1 6.573 -4.503 0.194 1.00 0.00 C HETATM 4 C4 UNL 1 6.799 -2.681 1.792 1.00 0.00 C HETATM 5 C5 UNL 1 6.551 -1.215 2.055 1.00 0.00 C HETATM 6 C6 UNL 1 5.333 -0.673 1.333 1.00 0.00 C HETATM 7 C7 UNL 1 5.804 0.491 0.541 1.00 0.00 C HETATM 8 O1 UNL 1 5.765 0.601 -0.702 1.00 0.00 O HETATM 9 O2 UNL 1 6.353 1.601 1.211 1.00 0.00 O HETATM 10 C8 UNL 1 6.831 2.746 0.523 1.00 0.00 C HETATM 11 O3 UNL 1 8.163 2.976 0.772 1.00 0.00 O HETATM 12 C9 UNL 1 8.665 3.978 -0.029 1.00 0.00 C HETATM 13 C10 UNL 1 9.723 3.385 -0.975 1.00 0.00 C HETATM 14 O4 UNL 1 10.249 4.378 -1.792 1.00 0.00 O HETATM 15 C11 UNL 1 7.673 4.707 -0.867 1.00 0.00 C HETATM 16 O5 UNL 1 7.407 4.112 -2.099 1.00 0.00 O HETATM 17 C12 UNL 1 6.390 5.053 -0.152 1.00 0.00 C HETATM 18 O6 UNL 1 6.598 6.241 0.547 1.00 0.00 O HETATM 19 C13 UNL 1 5.947 3.949 0.797 1.00 0.00 C HETATM 20 O7 UNL 1 4.637 3.544 0.458 1.00 0.00 O HETATM 21 C14 UNL 1 4.276 -0.232 2.347 1.00 0.00 C HETATM 22 C15 UNL 1 3.053 -1.118 2.350 1.00 0.00 C HETATM 23 C16 UNL 1 2.385 -1.031 1.022 1.00 0.00 C HETATM 24 C17 UNL 1 2.140 0.418 0.771 1.00 0.00 C HETATM 25 C18 UNL 1 3.374 -1.535 0.028 1.00 0.00 C HETATM 26 C19 UNL 1 2.934 -1.723 -1.190 1.00 0.00 C HETATM 27 C20 UNL 1 1.492 -1.438 -1.545 1.00 0.00 C HETATM 28 C21 UNL 1 0.662 -2.117 -0.485 1.00 0.00 C HETATM 29 C22 UNL 1 -0.824 -1.995 -0.714 1.00 0.00 C HETATM 30 C23 UNL 1 -1.154 -2.948 -1.893 1.00 0.00 C HETATM 31 C24 UNL 1 -1.317 -0.660 -1.147 1.00 0.00 C HETATM 32 C25 UNL 1 -2.361 -0.018 -0.303 1.00 0.00 C HETATM 33 C26 UNL 1 -3.453 -0.879 0.217 1.00 0.00 C HETATM 34 O8 UNL 1 -4.616 -0.764 -0.566 1.00 0.00 O HETATM 35 C27 UNL 1 -5.660 -0.131 0.097 1.00 0.00 C HETATM 36 O9 UNL 1 -6.751 -0.976 0.292 1.00 0.00 O HETATM 37 C28 UNL 1 -7.623 -0.995 -0.760 1.00 0.00 C HETATM 38 C29 UNL 1 -8.547 -2.144 -0.611 1.00 0.00 C HETATM 39 O10 UNL 1 -8.435 -2.905 0.379 1.00 0.00 O HETATM 40 O11 UNL 1 -9.546 -2.420 -1.532 1.00 0.00 O HETATM 41 C30 UNL 1 -8.451 0.288 -0.818 1.00 0.00 C HETATM 42 O12 UNL 1 -8.757 0.545 -2.163 1.00 0.00 O HETATM 43 C31 UNL 1 -9.580 1.668 -2.237 1.00 0.00 C HETATM 44 O13 UNL 1 -10.925 1.325 -2.221 1.00 0.00 O HETATM 45 C32 UNL 1 -9.281 2.396 -3.490 1.00 0.00 C HETATM 46 O14 UNL 1 -10.202 2.577 -4.317 1.00 0.00 O HETATM 47 O15 UNL 1 -8.017 2.879 -3.767 1.00 0.00 O HETATM 48 C33 UNL 1 -9.329 2.602 -1.058 1.00 0.00 C HETATM 49 O16 UNL 1 -9.665 3.892 -1.476 1.00 0.00 O HETATM 50 C34 UNL 1 -10.749 4.350 -0.750 1.00 0.00 C HETATM 51 C35 UNL 1 -10.423 4.368 0.699 1.00 0.00 C HETATM 52 O17 UNL 1 -11.312 4.765 1.494 1.00 0.00 O HETATM 53 O18 UNL 1 -9.210 3.976 1.201 1.00 0.00 O HETATM 54 O19 UNL 1 -7.976 2.630 -0.723 1.00 0.00 O HETATM 55 C36 UNL 1 -7.585 1.386 -0.249 1.00 0.00 C HETATM 56 C37 UNL 1 -6.126 1.122 -0.577 1.00 0.00 C HETATM 57 O20 UNL 1 -5.952 1.083 -1.959 1.00 0.00 O HETATM 58 C38 UNL 1 -3.067 -2.325 0.406 1.00 0.00 C HETATM 59 C39 UNL 1 -3.612 -2.745 1.785 1.00 0.00 C HETATM 60 C40 UNL 1 -3.829 -3.183 -0.579 1.00 0.00 C HETATM 61 C41 UNL 1 -1.594 -2.562 0.450 1.00 0.00 C HETATM 62 C42 UNL 1 -1.123 -2.143 1.799 1.00 0.00 C HETATM 63 C43 UNL 1 0.135 -1.341 1.840 1.00 0.00 C HETATM 64 C44 UNL 1 1.151 -1.898 0.900 1.00 0.00 C HETATM 65 C45 UNL 1 1.505 -3.277 1.483 1.00 0.00 C HETATM 66 C46 UNL 1 4.738 -1.783 0.536 1.00 0.00 C HETATM 67 C47 UNL 1 5.703 -2.317 -0.441 1.00 0.00 C HETATM 68 H1 UNL 1 8.580 -1.860 0.380 1.00 0.00 H HETATM 69 H2 UNL 1 8.854 -3.551 -0.069 1.00 0.00 H HETATM 70 H3 UNL 1 8.125 -2.372 -1.298 1.00 0.00 H HETATM 71 H4 UNL 1 6.216 -4.680 -0.863 1.00 0.00 H HETATM 72 H5 UNL 1 5.810 -4.879 0.909 1.00 0.00 H HETATM 73 H6 UNL 1 7.518 -5.086 0.284 1.00 0.00 H HETATM 74 H7 UNL 1 6.154 -3.349 2.399 1.00 0.00 H HETATM 75 H8 UNL 1 7.843 -2.879 2.164 1.00 0.00 H HETATM 76 H9 UNL 1 7.467 -0.632 1.830 1.00 0.00 H HETATM 77 H10 UNL 1 6.378 -1.097 3.139 1.00 0.00 H HETATM 78 H11 UNL 1 6.697 2.534 -0.555 1.00 0.00 H HETATM 79 H12 UNL 1 9.268 4.702 0.602 1.00 0.00 H HETATM 80 H13 UNL 1 10.532 2.907 -0.369 1.00 0.00 H HETATM 81 H14 UNL 1 9.288 2.618 -1.625 1.00 0.00 H HETATM 82 H15 UNL 1 11.156 4.152 -2.116 1.00 0.00 H HETATM 83 H16 UNL 1 8.143 5.697 -1.131 1.00 0.00 H HETATM 84 H17 UNL 1 7.990 4.449 -2.804 1.00 0.00 H HETATM 85 H18 UNL 1 5.626 5.212 -0.950 1.00 0.00 H HETATM 86 H19 UNL 1 5.740 6.657 0.777 1.00 0.00 H HETATM 87 H20 UNL 1 6.003 4.336 1.810 1.00 0.00 H HETATM 88 H21 UNL 1 4.709 3.163 -0.476 1.00 0.00 H HETATM 89 H22 UNL 1 4.081 0.826 2.155 1.00 0.00 H HETATM 90 H23 UNL 1 4.775 -0.243 3.365 1.00 0.00 H HETATM 91 H24 UNL 1 2.353 -0.625 3.095 1.00 0.00 H HETATM 92 H25 UNL 1 3.325 -2.073 2.746 1.00 0.00 H HETATM 93 H26 UNL 1 2.131 1.023 1.735 1.00 0.00 H HETATM 94 H27 UNL 1 1.141 0.670 0.361 1.00 0.00 H HETATM 95 H28 UNL 1 2.918 0.916 0.157 1.00 0.00 H HETATM 96 H29 UNL 1 3.653 -2.088 -1.925 1.00 0.00 H HETATM 97 H30 UNL 1 1.314 -0.399 -1.740 1.00 0.00 H HETATM 98 H31 UNL 1 1.368 -1.954 -2.545 1.00 0.00 H HETATM 99 H32 UNL 1 0.867 -3.213 -0.758 1.00 0.00 H HETATM 100 H33 UNL 1 -0.201 -3.228 -2.437 1.00 0.00 H HETATM 101 H34 UNL 1 -1.763 -2.470 -2.657 1.00 0.00 H HETATM 102 H35 UNL 1 -1.515 -3.928 -1.530 1.00 0.00 H HETATM 103 H36 UNL 1 -1.740 -0.672 -2.203 1.00 0.00 H HETATM 104 H37 UNL 1 -0.521 0.126 -1.242 1.00 0.00 H HETATM 105 H38 UNL 1 -1.896 0.600 0.515 1.00 0.00 H HETATM 106 H39 UNL 1 -2.866 0.774 -0.939 1.00 0.00 H HETATM 107 H40 UNL 1 -3.753 -0.408 1.204 1.00 0.00 H HETATM 108 H41 UNL 1 -5.326 0.162 1.133 1.00 0.00 H HETATM 109 H42 UNL 1 -7.115 -1.111 -1.741 1.00 0.00 H HETATM 110 H43 UNL 1 -10.492 -2.104 -1.477 1.00 0.00 H HETATM 111 H44 UNL 1 -9.368 0.195 -0.221 1.00 0.00 H HETATM 112 H45 UNL 1 -11.277 1.035 -3.098 1.00 0.00 H HETATM 113 H46 UNL 1 -7.631 3.533 -3.071 1.00 0.00 H HETATM 114 H47 UNL 1 -9.985 2.242 -0.248 1.00 0.00 H HETATM 115 H48 UNL 1 -11.005 5.388 -1.105 1.00 0.00 H HETATM 116 H49 UNL 1 -11.587 3.642 -0.924 1.00 0.00 H HETATM 117 H50 UNL 1 -9.035 3.181 1.806 1.00 0.00 H HETATM 118 H51 UNL 1 -7.712 1.380 0.847 1.00 0.00 H HETATM 119 H52 UNL 1 -5.564 2.018 -0.224 1.00 0.00 H HETATM 120 H53 UNL 1 -5.700 1.972 -2.332 1.00 0.00 H HETATM 121 H54 UNL 1 -4.609 -3.271 1.681 1.00 0.00 H HETATM 122 H55 UNL 1 -3.882 -1.837 2.395 1.00 0.00 H HETATM 123 H56 UNL 1 -2.962 -3.451 2.292 1.00 0.00 H HETATM 124 H57 UNL 1 -4.909 -3.112 -0.230 1.00 0.00 H HETATM 125 H58 UNL 1 -3.606 -4.259 -0.441 1.00 0.00 H HETATM 126 H59 UNL 1 -3.864 -2.819 -1.598 1.00 0.00 H HETATM 127 H60 UNL 1 -1.477 -3.685 0.372 1.00 0.00 H HETATM 128 H61 UNL 1 -1.884 -1.513 2.349 1.00 0.00 H HETATM 129 H62 UNL 1 -0.977 -3.025 2.494 1.00 0.00 H HETATM 130 H63 UNL 1 0.557 -1.458 2.885 1.00 0.00 H HETATM 131 H64 UNL 1 -0.059 -0.278 1.739 1.00 0.00 H HETATM 132 H65 UNL 1 1.593 -3.269 2.565 1.00 0.00 H HETATM 133 H66 UNL 1 0.720 -4.018 1.229 1.00 0.00 H HETATM 134 H67 UNL 1 2.400 -3.608 0.937 1.00 0.00 H HETATM 135 H68 UNL 1 4.601 -2.627 1.297 1.00 0.00 H HETATM 136 H69 UNL 1 5.235 -3.043 -1.160 1.00 0.00 H HETATM 137 H70 UNL 1 6.208 -1.577 -1.084 1.00 0.00 H CONECT 1 2 68 69 70 CONECT 2 3 4 67 CONECT 3 71 72 73 CONECT 4 5 74 75 CONECT 5 6 76 77 CONECT 6 7 21 66 CONECT 7 8 8 9 CONECT 9 10 CONECT 10 11 19 78 CONECT 11 12 CONECT 12 13 15 79 CONECT 13 14 80 81 CONECT 14 82 CONECT 15 16 17 83 CONECT 16 84 CONECT 17 18 19 85 CONECT 18 86 CONECT 19 20 87 CONECT 20 88 CONECT 21 22 89 90 CONECT 22 23 91 92 CONECT 23 24 25 64 CONECT 24 93 94 95 CONECT 25 26 26 66 CONECT 26 27 96 CONECT 27 28 97 98 CONECT 28 29 64 99 CONECT 29 30 31 61 CONECT 30 100 101 102 CONECT 31 32 103 104 CONECT 32 33 105 106 CONECT 33 34 58 107 CONECT 34 35 CONECT 35 36 56 108 CONECT 36 37 CONECT 37 38 41 109 CONECT 38 39 39 40 CONECT 40 110 CONECT 41 42 55 111 CONECT 42 43 CONECT 43 44 45 48 CONECT 44 112 CONECT 45 46 46 47 CONECT 47 113 CONECT 48 49 54 114 CONECT 49 50 CONECT 50 51 115 116 CONECT 51 52 52 53 CONECT 53 117 CONECT 54 55 CONECT 55 56 118 CONECT 56 57 119 CONECT 57 120 CONECT 58 59 60 61 CONECT 59 121 122 123 CONECT 60 124 125 126 CONECT 61 62 127 CONECT 62 63 128 129 CONECT 63 64 130 131 CONECT 64 65 CONECT 65 132 133 134 CONECT 66 67 135 CONECT 67 136 137 END