COMPND HMDB0071178 HETATM 1 C1 UNL 1 -5.294 4.861 -1.782 1.00 0.00 C HETATM 2 C2 UNL 1 -6.107 3.626 -1.502 1.00 0.00 C HETATM 3 C3 UNL 1 -6.713 3.020 -2.701 1.00 0.00 C HETATM 4 C4 UNL 1 -5.868 2.475 -3.773 1.00 0.00 C HETATM 5 C5 UNL 1 -4.920 3.359 -4.479 1.00 0.00 C HETATM 6 C6 UNL 1 -4.173 2.667 -5.585 1.00 0.00 C HETATM 7 C7 UNL 1 -3.338 1.475 -5.108 1.00 0.00 C HETATM 8 C8 UNL 1 -2.334 1.898 -4.094 1.00 0.00 C HETATM 9 C9 UNL 1 -1.347 0.934 -3.579 1.00 0.00 C HETATM 10 C10 UNL 1 -1.744 -0.290 -2.900 1.00 0.00 C HETATM 11 C11 UNL 1 -2.462 -1.373 -3.633 1.00 0.00 C HETATM 12 C12 UNL 1 -2.645 -2.499 -2.568 1.00 0.00 C HETATM 13 C13 UNL 1 -3.321 -3.689 -3.160 1.00 0.00 C HETATM 14 C14 UNL 1 -3.501 -4.733 -2.117 1.00 0.00 C HETATM 15 C15 UNL 1 -2.289 -5.230 -1.475 1.00 0.00 C HETATM 16 O1 UNL 1 -2.469 -6.086 -0.538 1.00 0.00 O HETATM 17 O2 UNL 1 -0.989 -4.906 -1.735 1.00 0.00 O HETATM 18 C16 UNL 1 0.144 -5.405 -1.078 1.00 0.00 C HETATM 19 C17 UNL 1 1.104 -6.150 -1.937 1.00 0.00 C HETATM 20 O3 UNL 1 1.628 -5.442 -3.042 1.00 0.00 O HETATM 21 C18 UNL 1 2.502 -6.161 -3.850 1.00 0.00 C HETATM 22 O4 UNL 1 2.714 -7.383 -3.444 1.00 0.00 O HETATM 23 C19 UNL 1 3.188 -5.774 -5.046 1.00 0.00 C HETATM 24 C20 UNL 1 3.437 -4.385 -5.428 1.00 0.00 C HETATM 25 C21 UNL 1 4.290 -3.517 -4.615 1.00 0.00 C HETATM 26 C22 UNL 1 3.900 -3.171 -3.226 1.00 0.00 C HETATM 27 C23 UNL 1 4.983 -2.268 -2.596 1.00 0.00 C HETATM 28 C24 UNL 1 4.565 -1.842 -1.229 1.00 0.00 C HETATM 29 C25 UNL 1 3.306 -1.015 -1.233 1.00 0.00 C HETATM 30 C26 UNL 1 3.475 0.244 -2.062 1.00 0.00 C HETATM 31 C27 UNL 1 2.189 1.030 -2.020 1.00 0.00 C HETATM 32 C28 UNL 1 0.889 -4.354 -0.285 1.00 0.00 C HETATM 33 O5 UNL 1 0.057 -3.787 0.711 1.00 0.00 O HETATM 34 C29 UNL 1 0.611 -2.795 1.507 1.00 0.00 C HETATM 35 O6 UNL 1 1.800 -2.425 1.346 1.00 0.00 O HETATM 36 C30 UNL 1 -0.175 -2.129 2.577 1.00 0.00 C HETATM 37 C31 UNL 1 0.551 -1.033 3.281 1.00 0.00 C HETATM 38 C32 UNL 1 1.793 -1.420 4.012 1.00 0.00 C HETATM 39 C33 UNL 1 2.338 -0.097 4.636 1.00 0.00 C HETATM 40 C34 UNL 1 3.568 -0.333 5.412 1.00 0.00 C HETATM 41 C35 UNL 1 4.307 0.808 5.980 1.00 0.00 C HETATM 42 C36 UNL 1 3.652 1.767 6.885 1.00 0.00 C HETATM 43 C37 UNL 1 2.577 2.633 6.319 1.00 0.00 C HETATM 44 C38 UNL 1 2.038 3.499 7.424 1.00 0.00 C HETATM 45 C39 UNL 1 0.922 4.400 7.099 1.00 0.00 C HETATM 46 C40 UNL 1 -0.427 3.868 6.794 1.00 0.00 C HETATM 47 C41 UNL 1 -0.625 2.900 5.705 1.00 0.00 C HETATM 48 C42 UNL 1 -2.104 2.531 5.467 1.00 0.00 C HETATM 49 C43 UNL 1 -2.888 3.732 5.092 1.00 0.00 C HETATM 50 C44 UNL 1 -4.350 3.391 4.815 1.00 0.00 C HETATM 51 C45 UNL 1 -5.007 2.788 6.018 1.00 0.00 C HETATM 52 C46 UNL 1 -4.471 2.470 3.633 1.00 0.00 C HETATM 53 H1 UNL 1 -5.537 5.298 -2.757 1.00 0.00 H HETATM 54 H2 UNL 1 -5.547 5.680 -1.034 1.00 0.00 H HETATM 55 H3 UNL 1 -4.197 4.699 -1.712 1.00 0.00 H HETATM 56 H4 UNL 1 -6.918 3.943 -0.769 1.00 0.00 H HETATM 57 H5 UNL 1 -5.511 2.898 -0.887 1.00 0.00 H HETATM 58 H6 UNL 1 -7.504 3.732 -3.080 1.00 0.00 H HETATM 59 H7 UNL 1 -7.357 2.153 -2.326 1.00 0.00 H HETATM 60 H8 UNL 1 -5.378 1.520 -3.411 1.00 0.00 H HETATM 61 H9 UNL 1 -6.581 2.080 -4.572 1.00 0.00 H HETATM 62 H10 UNL 1 -5.522 4.167 -4.975 1.00 0.00 H HETATM 63 H11 UNL 1 -4.135 3.836 -3.853 1.00 0.00 H HETATM 64 H12 UNL 1 -4.830 2.362 -6.408 1.00 0.00 H HETATM 65 H13 UNL 1 -3.425 3.394 -5.987 1.00 0.00 H HETATM 66 H14 UNL 1 -2.900 1.013 -6.006 1.00 0.00 H HETATM 67 H15 UNL 1 -4.032 0.727 -4.659 1.00 0.00 H HETATM 68 H16 UNL 1 -1.794 2.814 -4.540 1.00 0.00 H HETATM 69 H17 UNL 1 -2.873 2.421 -3.216 1.00 0.00 H HETATM 70 H18 UNL 1 -0.627 1.552 -2.906 1.00 0.00 H HETATM 71 H19 UNL 1 -0.587 0.690 -4.430 1.00 0.00 H HETATM 72 H20 UNL 1 -2.331 -0.014 -1.966 1.00 0.00 H HETATM 73 H21 UNL 1 -0.793 -0.721 -2.418 1.00 0.00 H HETATM 74 H22 UNL 1 -1.781 -1.788 -4.409 1.00 0.00 H HETATM 75 H23 UNL 1 -3.464 -1.191 -3.979 1.00 0.00 H HETATM 76 H24 UNL 1 -3.185 -2.043 -1.734 1.00 0.00 H HETATM 77 H25 UNL 1 -1.630 -2.753 -2.275 1.00 0.00 H HETATM 78 H26 UNL 1 -2.833 -4.068 -4.070 1.00 0.00 H HETATM 79 H27 UNL 1 -4.356 -3.388 -3.492 1.00 0.00 H HETATM 80 H28 UNL 1 -4.225 -4.357 -1.366 1.00 0.00 H HETATM 81 H29 UNL 1 -3.999 -5.615 -2.607 1.00 0.00 H HETATM 82 H30 UNL 1 -0.179 -6.151 -0.266 1.00 0.00 H HETATM 83 H31 UNL 1 0.656 -7.088 -2.374 1.00 0.00 H HETATM 84 H32 UNL 1 1.981 -6.548 -1.345 1.00 0.00 H HETATM 85 H33 UNL 1 4.226 -6.279 -5.017 1.00 0.00 H HETATM 86 H34 UNL 1 2.629 -6.284 -5.912 1.00 0.00 H HETATM 87 H35 UNL 1 3.899 -4.399 -6.473 1.00 0.00 H HETATM 88 H36 UNL 1 2.426 -3.919 -5.649 1.00 0.00 H HETATM 89 H37 UNL 1 5.340 -3.910 -4.681 1.00 0.00 H HETATM 90 H38 UNL 1 4.351 -2.518 -5.168 1.00 0.00 H HETATM 91 H39 UNL 1 2.962 -2.643 -3.132 1.00 0.00 H HETATM 92 H40 UNL 1 3.944 -4.122 -2.618 1.00 0.00 H HETATM 93 H41 UNL 1 5.871 -2.934 -2.492 1.00 0.00 H HETATM 94 H42 UNL 1 5.183 -1.430 -3.272 1.00 0.00 H HETATM 95 H43 UNL 1 4.345 -2.756 -0.603 1.00 0.00 H HETATM 96 H44 UNL 1 5.339 -1.292 -0.678 1.00 0.00 H HETATM 97 H45 UNL 1 3.164 -0.639 -0.178 1.00 0.00 H HETATM 98 H46 UNL 1 2.421 -1.572 -1.501 1.00 0.00 H HETATM 99 H47 UNL 1 3.793 0.023 -3.091 1.00 0.00 H HETATM 100 H48 UNL 1 4.270 0.848 -1.586 1.00 0.00 H HETATM 101 H49 UNL 1 1.290 0.400 -1.934 1.00 0.00 H HETATM 102 H50 UNL 1 2.174 1.763 -1.168 1.00 0.00 H HETATM 103 H51 UNL 1 2.149 1.662 -2.941 1.00 0.00 H HETATM 104 H52 UNL 1 1.337 -3.584 -0.930 1.00 0.00 H HETATM 105 H53 UNL 1 1.709 -4.877 0.243 1.00 0.00 H HETATM 106 H54 UNL 1 -0.344 -2.934 3.355 1.00 0.00 H HETATM 107 H55 UNL 1 -1.184 -1.855 2.243 1.00 0.00 H HETATM 108 H56 UNL 1 -0.169 -0.605 4.033 1.00 0.00 H HETATM 109 H57 UNL 1 0.840 -0.238 2.554 1.00 0.00 H HETATM 110 H58 UNL 1 1.520 -2.041 4.890 1.00 0.00 H HETATM 111 H59 UNL 1 2.579 -1.893 3.436 1.00 0.00 H HETATM 112 H60 UNL 1 1.512 0.170 5.386 1.00 0.00 H HETATM 113 H61 UNL 1 2.414 0.612 3.819 1.00 0.00 H HETATM 114 H62 UNL 1 3.418 -1.103 6.228 1.00 0.00 H HETATM 115 H63 UNL 1 4.297 -0.867 4.708 1.00 0.00 H HETATM 116 H64 UNL 1 5.168 0.344 6.583 1.00 0.00 H HETATM 117 H65 UNL 1 4.879 1.331 5.149 1.00 0.00 H HETATM 118 H66 UNL 1 3.214 1.241 7.789 1.00 0.00 H HETATM 119 H67 UNL 1 4.396 2.479 7.362 1.00 0.00 H HETATM 120 H68 UNL 1 3.090 3.414 5.611 1.00 0.00 H HETATM 121 H69 UNL 1 1.826 2.226 5.711 1.00 0.00 H HETATM 122 H70 UNL 1 2.892 4.132 7.792 1.00 0.00 H HETATM 123 H71 UNL 1 1.781 2.778 8.265 1.00 0.00 H HETATM 124 H72 UNL 1 1.179 5.084 6.223 1.00 0.00 H HETATM 125 H73 UNL 1 0.768 5.158 7.937 1.00 0.00 H HETATM 126 H74 UNL 1 -0.875 3.451 7.756 1.00 0.00 H HETATM 127 H75 UNL 1 -1.111 4.759 6.603 1.00 0.00 H HETATM 128 H76 UNL 1 -0.129 3.185 4.783 1.00 0.00 H HETATM 129 H77 UNL 1 -0.193 1.889 6.052 1.00 0.00 H HETATM 130 H78 UNL 1 -2.153 1.794 4.642 1.00 0.00 H HETATM 131 H79 UNL 1 -2.453 2.045 6.407 1.00 0.00 H HETATM 132 H80 UNL 1 -2.902 4.493 5.900 1.00 0.00 H HETATM 133 H81 UNL 1 -2.470 4.176 4.177 1.00 0.00 H HETATM 134 H82 UNL 1 -4.859 4.343 4.578 1.00 0.00 H HETATM 135 H83 UNL 1 -4.961 3.498 6.856 1.00 0.00 H HETATM 136 H84 UNL 1 -4.548 1.806 6.270 1.00 0.00 H HETATM 137 H85 UNL 1 -6.059 2.585 5.758 1.00 0.00 H HETATM 138 H86 UNL 1 -4.659 1.429 3.970 1.00 0.00 H HETATM 139 H87 UNL 1 -5.335 2.792 3.023 1.00 0.00 H HETATM 140 H88 UNL 1 -3.561 2.512 2.994 1.00 0.00 H CONECT 1 2 53 54 55 CONECT 2 3 56 57 CONECT 3 4 58 59 CONECT 4 5 60 61 CONECT 5 6 62 63 CONECT 6 7 64 65 CONECT 7 8 66 67 CONECT 8 9 68 69 CONECT 9 10 70 71 CONECT 10 11 72 73 CONECT 11 12 74 75 CONECT 12 13 76 77 CONECT 13 14 78 79 CONECT 14 15 80 81 CONECT 15 16 16 17 CONECT 17 18 CONECT 18 19 32 82 CONECT 19 20 83 84 CONECT 20 21 CONECT 21 22 22 23 CONECT 23 24 85 86 CONECT 24 25 87 88 CONECT 25 26 89 90 CONECT 26 27 91 92 CONECT 27 28 93 94 CONECT 28 29 95 96 CONECT 29 30 97 98 CONECT 30 31 99 100 CONECT 31 101 102 103 CONECT 32 33 104 105 CONECT 33 34 CONECT 34 35 35 36 CONECT 36 37 106 107 CONECT 37 38 108 109 CONECT 38 39 110 111 CONECT 39 40 112 113 CONECT 40 41 114 115 CONECT 41 42 116 117 CONECT 42 43 118 119 CONECT 43 44 120 121 CONECT 44 45 122 123 CONECT 45 46 124 125 CONECT 46 47 126 127 CONECT 47 48 128 129 CONECT 48 49 130 131 CONECT 49 50 132 133 CONECT 50 51 52 134 CONECT 51 135 136 137 CONECT 52 138 139 140 END