COMPND HMDB0110767 HETATM 1 C1 UNL 1 5.705 -4.687 -13.508 1.00 0.00 C HETATM 2 C2 UNL 1 5.191 -3.260 -13.539 1.00 0.00 C HETATM 3 C3 UNL 1 6.320 -2.272 -13.721 1.00 0.00 C HETATM 4 C4 UNL 1 5.708 -0.878 -13.755 1.00 0.00 C HETATM 5 C5 UNL 1 6.756 0.179 -13.934 1.00 0.00 C HETATM 6 C6 UNL 1 6.043 1.539 -13.961 1.00 0.00 C HETATM 7 C7 UNL 1 7.008 2.654 -14.135 1.00 0.00 C HETATM 8 C8 UNL 1 8.090 2.818 -13.159 1.00 0.00 C HETATM 9 C9 UNL 1 7.859 3.130 -11.752 1.00 0.00 C HETATM 10 C10 UNL 1 7.042 2.220 -10.913 1.00 0.00 C HETATM 11 C11 UNL 1 7.038 2.706 -9.434 1.00 0.00 C HETATM 12 C12 UNL 1 6.155 1.754 -8.684 1.00 0.00 C HETATM 13 C13 UNL 1 6.057 2.029 -7.213 1.00 0.00 C HETATM 14 C14 UNL 1 5.117 1.037 -6.605 1.00 0.00 C HETATM 15 C15 UNL 1 4.982 1.199 -5.100 1.00 0.00 C HETATM 16 C16 UNL 1 3.975 0.190 -4.551 1.00 0.00 C HETATM 17 C17 UNL 1 3.857 0.313 -3.058 1.00 0.00 C HETATM 18 C18 UNL 1 2.853 -0.626 -2.451 1.00 0.00 C HETATM 19 C19 UNL 1 1.458 -0.366 -2.976 1.00 0.00 C HETATM 20 C20 UNL 1 0.467 -1.283 -2.360 1.00 0.00 C HETATM 21 O1 UNL 1 0.138 -2.348 -2.915 1.00 0.00 O HETATM 22 O2 UNL 1 -0.118 -0.960 -1.136 1.00 0.00 O HETATM 23 C21 UNL 1 -1.086 -1.803 -0.499 1.00 0.00 C HETATM 24 C22 UNL 1 -0.544 -2.369 0.769 1.00 0.00 C HETATM 25 O3 UNL 1 -0.123 -1.531 1.762 1.00 0.00 O HETATM 26 C23 UNL 1 -0.741 -0.687 2.603 1.00 0.00 C HETATM 27 O4 UNL 1 -1.988 -0.592 2.557 1.00 0.00 O HETATM 28 C24 UNL 1 -0.071 0.193 3.632 1.00 0.00 C HETATM 29 C25 UNL 1 -1.099 1.018 4.352 1.00 0.00 C HETATM 30 C26 UNL 1 -0.489 1.941 5.379 1.00 0.00 C HETATM 31 C27 UNL 1 -1.579 2.743 6.066 1.00 0.00 C HETATM 32 C28 UNL 1 -1.099 3.715 7.079 1.00 0.00 C HETATM 33 C29 UNL 1 -0.332 3.112 8.228 1.00 0.00 C HETATM 34 C30 UNL 1 0.133 4.147 9.194 1.00 0.00 C HETATM 35 C31 UNL 1 -0.998 4.917 9.818 1.00 0.00 C HETATM 36 C32 UNL 1 -0.453 5.962 10.786 1.00 0.00 C HETATM 37 C33 UNL 1 -1.598 6.705 11.401 1.00 0.00 C HETATM 38 C34 UNL 1 -1.131 7.774 12.370 1.00 0.00 C HETATM 39 C35 UNL 1 -2.293 8.503 12.987 1.00 0.00 C HETATM 40 C36 UNL 1 -1.912 9.583 13.951 1.00 0.00 C HETATM 41 C37 UNL 1 -1.081 10.667 13.308 1.00 0.00 C HETATM 42 C38 UNL 1 -0.711 11.745 14.292 1.00 0.00 C HETATM 43 C39 UNL 1 -1.876 12.437 14.918 1.00 0.00 C HETATM 44 C40 UNL 1 -2.791 13.130 13.953 1.00 0.00 C HETATM 45 C41 UNL 1 -1.298 13.520 15.835 1.00 0.00 C HETATM 46 C42 UNL 1 -2.356 -1.045 -0.388 1.00 0.00 C HETATM 47 O5 UNL 1 -3.362 -1.845 0.193 1.00 0.00 O HETATM 48 C43 UNL 1 -3.912 -2.954 -0.418 1.00 0.00 C HETATM 49 O6 UNL 1 -3.470 -3.246 -1.580 1.00 0.00 O HETATM 50 C44 UNL 1 -4.970 -3.807 0.184 1.00 0.00 C HETATM 51 C45 UNL 1 -5.592 -4.708 -0.862 1.00 0.00 C HETATM 52 C46 UNL 1 -6.665 -5.601 -0.336 1.00 0.00 C HETATM 53 C47 UNL 1 -6.220 -6.586 0.705 1.00 0.00 C HETATM 54 C48 UNL 1 -7.390 -7.443 1.187 1.00 0.00 C HETATM 55 C49 UNL 1 -8.038 -8.181 0.066 1.00 0.00 C HETATM 56 C50 UNL 1 -7.144 -9.104 -0.696 1.00 0.00 C HETATM 57 C51 UNL 1 -6.532 -10.187 0.135 1.00 0.00 C HETATM 58 C52 UNL 1 -5.630 -11.083 -0.722 1.00 0.00 C HETATM 59 C53 UNL 1 -5.010 -12.167 0.100 1.00 0.00 C HETATM 60 C54 UNL 1 -4.114 -13.066 -0.697 1.00 0.00 C HETATM 61 C55 UNL 1 -2.961 -12.355 -1.351 1.00 0.00 C HETATM 62 C56 UNL 1 -4.883 -13.855 -1.742 1.00 0.00 C HETATM 63 H1 UNL 1 5.755 -5.130 -14.523 1.00 0.00 H HETATM 64 H2 UNL 1 6.657 -4.715 -12.963 1.00 0.00 H HETATM 65 H3 UNL 1 4.964 -5.279 -12.933 1.00 0.00 H HETATM 66 H4 UNL 1 4.708 -3.003 -12.559 1.00 0.00 H HETATM 67 H5 UNL 1 4.452 -3.076 -14.339 1.00 0.00 H HETATM 68 H6 UNL 1 7.002 -2.369 -12.842 1.00 0.00 H HETATM 69 H7 UNL 1 6.932 -2.497 -14.611 1.00 0.00 H HETATM 70 H8 UNL 1 5.149 -0.737 -12.829 1.00 0.00 H HETATM 71 H9 UNL 1 5.053 -0.865 -14.656 1.00 0.00 H HETATM 72 H10 UNL 1 7.319 0.081 -14.874 1.00 0.00 H HETATM 73 H11 UNL 1 7.446 0.145 -13.056 1.00 0.00 H HETATM 74 H12 UNL 1 5.372 1.517 -14.904 1.00 0.00 H HETATM 75 H13 UNL 1 5.346 1.702 -13.160 1.00 0.00 H HETATM 76 H14 UNL 1 7.372 2.686 -15.207 1.00 0.00 H HETATM 77 H15 UNL 1 6.379 3.608 -14.087 1.00 0.00 H HETATM 78 H16 UNL 1 8.772 3.643 -13.585 1.00 0.00 H HETATM 79 H17 UNL 1 8.744 1.888 -13.235 1.00 0.00 H HETATM 80 H18 UNL 1 7.520 4.210 -11.624 1.00 0.00 H HETATM 81 H19 UNL 1 8.887 3.162 -11.248 1.00 0.00 H HETATM 82 H20 UNL 1 7.328 1.179 -10.888 1.00 0.00 H HETATM 83 H21 UNL 1 5.949 2.364 -11.177 1.00 0.00 H HETATM 84 H22 UNL 1 6.738 3.747 -9.376 1.00 0.00 H HETATM 85 H23 UNL 1 8.067 2.608 -9.040 1.00 0.00 H HETATM 86 H24 UNL 1 5.111 1.738 -9.087 1.00 0.00 H HETATM 87 H25 UNL 1 6.541 0.722 -8.834 1.00 0.00 H HETATM 88 H26 UNL 1 7.070 1.880 -6.761 1.00 0.00 H HETATM 89 H27 UNL 1 5.652 3.034 -7.054 1.00 0.00 H HETATM 90 H28 UNL 1 5.466 0.017 -6.858 1.00 0.00 H HETATM 91 H29 UNL 1 4.099 1.206 -7.062 1.00 0.00 H HETATM 92 H30 UNL 1 4.664 2.223 -4.842 1.00 0.00 H HETATM 93 H31 UNL 1 5.971 0.971 -4.657 1.00 0.00 H HETATM 94 H32 UNL 1 3.012 0.446 -5.067 1.00 0.00 H HETATM 95 H33 UNL 1 4.225 -0.835 -4.883 1.00 0.00 H HETATM 96 H34 UNL 1 3.631 1.379 -2.843 1.00 0.00 H HETATM 97 H35 UNL 1 4.877 0.117 -2.644 1.00 0.00 H HETATM 98 H36 UNL 1 2.917 -0.524 -1.352 1.00 0.00 H HETATM 99 H37 UNL 1 3.116 -1.657 -2.811 1.00 0.00 H HETATM 100 H38 UNL 1 1.167 0.679 -2.666 1.00 0.00 H HETATM 101 H39 UNL 1 1.475 -0.439 -4.076 1.00 0.00 H HETATM 102 H40 UNL 1 -1.279 -2.701 -1.164 1.00 0.00 H HETATM 103 H41 UNL 1 0.222 -3.185 0.542 1.00 0.00 H HETATM 104 H42 UNL 1 -1.401 -3.004 1.192 1.00 0.00 H HETATM 105 H43 UNL 1 0.458 -0.476 4.336 1.00 0.00 H HETATM 106 H44 UNL 1 0.642 0.808 3.047 1.00 0.00 H HETATM 107 H45 UNL 1 -1.856 0.404 4.858 1.00 0.00 H HETATM 108 H46 UNL 1 -1.626 1.662 3.598 1.00 0.00 H HETATM 109 H47 UNL 1 -0.011 1.311 6.161 1.00 0.00 H HETATM 110 H48 UNL 1 0.297 2.584 4.970 1.00 0.00 H HETATM 111 H49 UNL 1 -2.278 2.032 6.596 1.00 0.00 H HETATM 112 H50 UNL 1 -2.201 3.229 5.290 1.00 0.00 H HETATM 113 H51 UNL 1 -0.523 4.544 6.623 1.00 0.00 H HETATM 114 H52 UNL 1 -2.017 4.193 7.529 1.00 0.00 H HETATM 115 H53 UNL 1 0.577 2.624 7.786 1.00 0.00 H HETATM 116 H54 UNL 1 -0.898 2.286 8.700 1.00 0.00 H HETATM 117 H55 UNL 1 0.886 4.812 8.719 1.00 0.00 H HETATM 118 H56 UNL 1 0.683 3.667 10.054 1.00 0.00 H HETATM 119 H57 UNL 1 -1.570 5.417 9.001 1.00 0.00 H HETATM 120 H58 UNL 1 -1.654 4.206 10.351 1.00 0.00 H HETATM 121 H59 UNL 1 0.083 6.708 10.131 1.00 0.00 H HETATM 122 H60 UNL 1 0.280 5.555 11.476 1.00 0.00 H HETATM 123 H61 UNL 1 -2.226 7.132 10.613 1.00 0.00 H HETATM 124 H62 UNL 1 -2.235 6.004 12.020 1.00 0.00 H HETATM 125 H63 UNL 1 -0.517 7.335 13.176 1.00 0.00 H HETATM 126 H64 UNL 1 -0.495 8.507 11.840 1.00 0.00 H HETATM 127 H65 UNL 1 -2.976 8.927 12.224 1.00 0.00 H HETATM 128 H66 UNL 1 -2.917 7.714 13.503 1.00 0.00 H HETATM 129 H67 UNL 1 -1.470 9.210 14.879 1.00 0.00 H HETATM 130 H68 UNL 1 -2.882 10.091 14.236 1.00 0.00 H HETATM 131 H69 UNL 1 -0.178 10.215 12.855 1.00 0.00 H HETATM 132 H70 UNL 1 -1.666 11.179 12.495 1.00 0.00 H HETATM 133 H71 UNL 1 -0.049 12.466 13.766 1.00 0.00 H HETATM 134 H72 UNL 1 -0.132 11.272 15.111 1.00 0.00 H HETATM 135 H73 UNL 1 -2.426 11.757 15.589 1.00 0.00 H HETATM 136 H74 UNL 1 -3.809 12.648 13.996 1.00 0.00 H HETATM 137 H75 UNL 1 -2.983 14.201 14.230 1.00 0.00 H HETATM 138 H76 UNL 1 -2.462 13.091 12.907 1.00 0.00 H HETATM 139 H77 UNL 1 -1.930 14.441 15.837 1.00 0.00 H HETATM 140 H78 UNL 1 -1.175 13.167 16.857 1.00 0.00 H HETATM 141 H79 UNL 1 -0.287 13.833 15.478 1.00 0.00 H HETATM 142 H80 UNL 1 -2.732 -0.854 -1.464 1.00 0.00 H HETATM 143 H81 UNL 1 -2.287 -0.040 0.059 1.00 0.00 H HETATM 144 H82 UNL 1 -5.718 -3.277 0.768 1.00 0.00 H HETATM 145 H83 UNL 1 -4.406 -4.502 0.880 1.00 0.00 H HETATM 146 H84 UNL 1 -6.090 -4.006 -1.591 1.00 0.00 H HETATM 147 H85 UNL 1 -4.823 -5.249 -1.448 1.00 0.00 H HETATM 148 H86 UNL 1 -7.487 -4.937 0.058 1.00 0.00 H HETATM 149 H87 UNL 1 -7.150 -6.173 -1.169 1.00 0.00 H HETATM 150 H88 UNL 1 -5.868 -6.007 1.580 1.00 0.00 H HETATM 151 H89 UNL 1 -5.382 -7.217 0.372 1.00 0.00 H HETATM 152 H90 UNL 1 -7.067 -8.168 1.946 1.00 0.00 H HETATM 153 H91 UNL 1 -8.109 -6.748 1.672 1.00 0.00 H HETATM 154 H92 UNL 1 -8.841 -8.825 0.530 1.00 0.00 H HETATM 155 H93 UNL 1 -8.611 -7.498 -0.619 1.00 0.00 H HETATM 156 H94 UNL 1 -6.289 -8.519 -1.148 1.00 0.00 H HETATM 157 H95 UNL 1 -7.730 -9.585 -1.519 1.00 0.00 H HETATM 158 H96 UNL 1 -5.898 -9.794 0.954 1.00 0.00 H HETATM 159 H97 UNL 1 -7.316 -10.814 0.611 1.00 0.00 H HETATM 160 H98 UNL 1 -6.280 -11.604 -1.486 1.00 0.00 H HETATM 161 H99 UNL 1 -4.856 -10.501 -1.245 1.00 0.00 H HETATM 162 HA0 UNL 1 -4.490 -11.768 0.979 1.00 0.00 H HETATM 163 HA1 UNL 1 -5.841 -12.806 0.495 1.00 0.00 H HETATM 164 HA2 UNL 1 -3.699 -13.821 0.001 1.00 0.00 H HETATM 165 HA3 UNL 1 -3.278 -12.066 -2.378 1.00 0.00 H HETATM 166 HA4 UNL 1 -2.560 -11.514 -0.753 1.00 0.00 H HETATM 167 HA5 UNL 1 -2.095 -13.065 -1.489 1.00 0.00 H HETATM 168 HA6 UNL 1 -4.195 -14.513 -2.307 1.00 0.00 H HETATM 169 HA7 UNL 1 -5.644 -14.528 -1.296 1.00 0.00 H HETATM 170 HA8 UNL 1 -5.432 -13.185 -2.458 1.00 0.00 H CONECT 1 2 63 64 65 CONECT 2 3 66 67 CONECT 3 4 68 69 CONECT 4 5 70 71 CONECT 5 6 72 73 CONECT 6 7 74 75 CONECT 7 8 76 77 CONECT 8 9 78 79 CONECT 9 10 80 81 CONECT 10 11 82 83 CONECT 11 12 84 85 CONECT 12 13 86 87 CONECT 13 14 88 89 CONECT 14 15 90 91 CONECT 15 16 92 93 CONECT 16 17 94 95 CONECT 17 18 96 97 CONECT 18 19 98 99 CONECT 19 20 100 101 CONECT 20 21 21 22 CONECT 22 23 CONECT 23 24 46 102 CONECT 24 25 103 104 CONECT 25 26 CONECT 26 27 27 28 CONECT 28 29 105 106 CONECT 29 30 107 108 CONECT 30 31 109 110 CONECT 31 32 111 112 CONECT 32 33 113 114 CONECT 33 34 115 116 CONECT 34 35 117 118 CONECT 35 36 119 120 CONECT 36 37 121 122 CONECT 37 38 123 124 CONECT 38 39 125 126 CONECT 39 40 127 128 CONECT 40 41 129 130 CONECT 41 42 131 132 CONECT 42 43 133 134 CONECT 43 44 45 135 CONECT 44 136 137 138 CONECT 45 139 140 141 CONECT 46 47 142 143 CONECT 47 48 CONECT 48 49 49 50 CONECT 50 51 144 145 CONECT 51 52 146 147 CONECT 52 53 148 149 CONECT 53 54 150 151 CONECT 54 55 152 153 CONECT 55 56 154 155 CONECT 56 57 156 157 CONECT 57 58 158 159 CONECT 58 59 160 161 CONECT 59 60 162 163 CONECT 60 61 62 164 CONECT 61 165 166 167 CONECT 62 168 169 170 END