COMPND HMDB0114516 HETATM 1 C1 UNL 1 -10.712 5.713 -13.629 1.00 0.00 C HETATM 2 C2 UNL 1 -9.354 5.363 -14.226 1.00 0.00 C HETATM 3 C3 UNL 1 -8.968 6.296 -15.331 1.00 0.00 C HETATM 4 C4 UNL 1 -8.865 7.722 -14.898 1.00 0.00 C HETATM 5 C5 UNL 1 -7.838 7.956 -13.798 1.00 0.00 C HETATM 6 C6 UNL 1 -7.850 9.386 -13.504 1.00 0.00 C HETATM 7 C7 UNL 1 -6.827 10.173 -13.637 1.00 0.00 C HETATM 8 C8 UNL 1 -5.506 9.686 -14.113 1.00 0.00 C HETATM 9 C9 UNL 1 -4.528 10.001 -13.054 1.00 0.00 C HETATM 10 C10 UNL 1 -3.795 9.134 -12.401 1.00 0.00 C HETATM 11 C11 UNL 1 -3.874 7.688 -12.660 1.00 0.00 C HETATM 12 C12 UNL 1 -2.593 7.112 -13.122 1.00 0.00 C HETATM 13 C13 UNL 1 -1.968 6.199 -12.435 1.00 0.00 C HETATM 14 C14 UNL 1 -2.408 5.636 -11.160 1.00 0.00 C HETATM 15 C15 UNL 1 -1.322 5.864 -10.155 1.00 0.00 C HETATM 16 C16 UNL 1 -0.746 4.857 -9.555 1.00 0.00 C HETATM 17 C17 UNL 1 -1.105 3.471 -9.807 1.00 0.00 C HETATM 18 C18 UNL 1 -1.584 2.846 -8.491 1.00 0.00 C HETATM 19 C19 UNL 1 -0.495 2.852 -7.449 1.00 0.00 C HETATM 20 C20 UNL 1 -1.029 2.232 -6.165 1.00 0.00 C HETATM 21 C21 UNL 1 0.037 2.197 -5.119 1.00 0.00 C HETATM 22 C22 UNL 1 -0.396 1.650 -3.817 1.00 0.00 C HETATM 23 O1 UNL 1 -1.592 1.314 -3.594 1.00 0.00 O HETATM 24 O2 UNL 1 0.493 1.485 -2.790 1.00 0.00 O HETATM 25 C23 UNL 1 0.248 0.996 -1.500 1.00 0.00 C HETATM 26 C24 UNL 1 1.554 0.944 -0.714 1.00 0.00 C HETATM 27 C25 UNL 1 2.538 0.091 -1.531 1.00 0.00 C HETATM 28 O3 UNL 1 2.527 0.667 -2.800 1.00 0.00 O HETATM 29 P1 UNL 1 3.522 -0.085 -3.905 1.00 0.00 P HETATM 30 O4 UNL 1 4.208 0.985 -4.753 1.00 0.00 O HETATM 31 O5 UNL 1 2.620 -1.020 -4.987 1.00 0.00 O HETATM 32 O6 UNL 1 4.720 -0.937 -3.120 1.00 0.00 O HETATM 33 C26 UNL 1 4.665 -2.289 -3.383 1.00 0.00 C HETATM 34 C27 UNL 1 5.770 -3.038 -2.682 1.00 0.00 C HETATM 35 N1 UNL 1 5.778 -2.940 -1.265 1.00 0.00 N HETATM 36 C28 UNL 1 4.715 -3.573 -0.571 1.00 0.00 C HETATM 37 C29 UNL 1 7.037 -3.473 -0.783 1.00 0.00 C HETATM 38 O7 UNL 1 1.438 0.521 0.600 1.00 0.00 O HETATM 39 C30 UNL 1 1.859 1.346 1.649 1.00 0.00 C HETATM 40 O8 UNL 1 2.330 2.478 1.272 1.00 0.00 O HETATM 41 C31 UNL 1 1.784 0.977 3.049 1.00 0.00 C HETATM 42 C32 UNL 1 1.101 -0.301 3.388 1.00 0.00 C HETATM 43 C33 UNL 1 1.189 -0.482 4.912 1.00 0.00 C HETATM 44 C34 UNL 1 0.527 -1.742 5.386 1.00 0.00 C HETATM 45 C35 UNL 1 0.733 -1.802 6.885 1.00 0.00 C HETATM 46 C36 UNL 1 0.122 -3.029 7.518 1.00 0.00 C HETATM 47 C37 UNL 1 0.419 -2.996 9.002 1.00 0.00 C HETATM 48 C38 UNL 1 -0.161 -4.195 9.710 1.00 0.00 C HETATM 49 C39 UNL 1 0.183 -4.142 11.175 1.00 0.00 C HETATM 50 C40 UNL 1 -0.380 -5.311 11.934 1.00 0.00 C HETATM 51 C41 UNL 1 0.022 -5.222 13.415 1.00 0.00 C HETATM 52 C42 UNL 1 -0.528 -6.353 14.193 1.00 0.00 C HETATM 53 C43 UNL 1 0.143 -7.256 14.856 1.00 0.00 C HETATM 54 C44 UNL 1 1.613 -7.253 14.907 1.00 0.00 C HETATM 55 C45 UNL 1 2.137 -7.110 16.346 1.00 0.00 C HETATM 56 C46 UNL 1 3.650 -7.123 16.277 1.00 0.00 C HETATM 57 C47 UNL 1 4.310 -6.983 17.615 1.00 0.00 C HETATM 58 C48 UNL 1 3.946 -8.063 18.577 1.00 0.00 C HETATM 59 C49 UNL 1 4.627 -7.910 19.911 1.00 0.00 C HETATM 60 C50 UNL 1 4.288 -6.605 20.594 1.00 0.00 C HETATM 61 C51 UNL 1 4.999 -6.505 21.944 1.00 0.00 C HETATM 62 H1 UNL 1 -11.409 6.091 -14.405 1.00 0.00 H HETATM 63 H2 UNL 1 -11.139 4.775 -13.193 1.00 0.00 H HETATM 64 H3 UNL 1 -10.541 6.408 -12.796 1.00 0.00 H HETATM 65 H4 UNL 1 -9.424 4.321 -14.650 1.00 0.00 H HETATM 66 H5 UNL 1 -8.614 5.283 -13.408 1.00 0.00 H HETATM 67 H6 UNL 1 -8.092 5.935 -15.873 1.00 0.00 H HETATM 68 H7 UNL 1 -9.826 6.265 -16.068 1.00 0.00 H HETATM 69 H8 UNL 1 -8.621 8.414 -15.726 1.00 0.00 H HETATM 70 H9 UNL 1 -9.855 8.053 -14.491 1.00 0.00 H HETATM 71 H10 UNL 1 -8.263 7.430 -12.878 1.00 0.00 H HETATM 72 H11 UNL 1 -6.899 7.465 -13.985 1.00 0.00 H HETATM 73 H12 UNL 1 -8.811 9.800 -13.146 1.00 0.00 H HETATM 74 H13 UNL 1 -6.910 11.262 -13.393 1.00 0.00 H HETATM 75 H14 UNL 1 -5.511 8.696 -14.523 1.00 0.00 H HETATM 76 H15 UNL 1 -5.213 10.431 -14.962 1.00 0.00 H HETATM 77 H16 UNL 1 -4.405 11.084 -12.791 1.00 0.00 H HETATM 78 H17 UNL 1 -3.101 9.531 -11.633 1.00 0.00 H HETATM 79 H18 UNL 1 -4.323 7.222 -11.775 1.00 0.00 H HETATM 80 H19 UNL 1 -4.603 7.444 -13.483 1.00 0.00 H HETATM 81 H20 UNL 1 -2.162 7.478 -14.087 1.00 0.00 H HETATM 82 H21 UNL 1 -1.016 5.832 -12.878 1.00 0.00 H HETATM 83 H22 UNL 1 -2.808 4.634 -11.204 1.00 0.00 H HETATM 84 H23 UNL 1 -3.255 6.261 -10.737 1.00 0.00 H HETATM 85 H24 UNL 1 -1.021 6.878 -9.934 1.00 0.00 H HETATM 86 H25 UNL 1 0.073 5.037 -8.814 1.00 0.00 H HETATM 87 H26 UNL 1 -1.733 3.217 -10.639 1.00 0.00 H HETATM 88 H27 UNL 1 -0.116 2.928 -10.031 1.00 0.00 H HETATM 89 H28 UNL 1 -2.446 3.480 -8.137 1.00 0.00 H HETATM 90 H29 UNL 1 -2.000 1.841 -8.651 1.00 0.00 H HETATM 91 H30 UNL 1 -0.192 3.915 -7.224 1.00 0.00 H HETATM 92 H31 UNL 1 0.411 2.373 -7.827 1.00 0.00 H HETATM 93 H32 UNL 1 -1.416 1.235 -6.433 1.00 0.00 H HETATM 94 H33 UNL 1 -1.856 2.886 -5.823 1.00 0.00 H HETATM 95 H34 UNL 1 0.354 3.260 -4.927 1.00 0.00 H HETATM 96 H35 UNL 1 0.958 1.674 -5.497 1.00 0.00 H HETATM 97 H36 UNL 1 -0.502 1.644 -1.028 1.00 0.00 H HETATM 98 H37 UNL 1 -0.140 -0.046 -1.596 1.00 0.00 H HETATM 99 H38 UNL 1 1.984 1.960 -0.745 1.00 0.00 H HETATM 100 H39 UNL 1 3.511 0.166 -1.024 1.00 0.00 H HETATM 101 H40 UNL 1 2.155 -0.942 -1.652 1.00 0.00 H HETATM 102 H41 UNL 1 2.867 -1.964 -4.846 1.00 0.00 H HETATM 103 H42 UNL 1 4.809 -2.432 -4.471 1.00 0.00 H HETATM 104 H43 UNL 1 3.658 -2.729 -3.147 1.00 0.00 H HETATM 105 H44 UNL 1 6.729 -2.600 -3.054 1.00 0.00 H HETATM 106 H45 UNL 1 5.761 -4.076 -3.070 1.00 0.00 H HETATM 107 H46 UNL 1 3.732 -3.530 -1.074 1.00 0.00 H HETATM 108 H47 UNL 1 4.588 -3.068 0.416 1.00 0.00 H HETATM 109 H48 UNL 1 4.911 -4.650 -0.339 1.00 0.00 H HETATM 110 H49 UNL 1 7.090 -4.577 -0.863 1.00 0.00 H HETATM 111 H50 UNL 1 7.108 -3.202 0.285 1.00 0.00 H HETATM 112 H51 UNL 1 7.898 -3.062 -1.367 1.00 0.00 H HETATM 113 H52 UNL 1 2.799 0.948 3.543 1.00 0.00 H HETATM 114 H53 UNL 1 1.256 1.793 3.633 1.00 0.00 H HETATM 115 H54 UNL 1 -0.005 -0.221 3.188 1.00 0.00 H HETATM 116 H55 UNL 1 1.439 -1.183 2.849 1.00 0.00 H HETATM 117 H56 UNL 1 2.270 -0.448 5.213 1.00 0.00 H HETATM 118 H57 UNL 1 0.616 0.371 5.338 1.00 0.00 H HETATM 119 H58 UNL 1 -0.534 -1.691 5.114 1.00 0.00 H HETATM 120 H59 UNL 1 1.032 -2.595 4.893 1.00 0.00 H HETATM 121 H60 UNL 1 1.846 -1.912 7.042 1.00 0.00 H HETATM 122 H61 UNL 1 0.450 -0.868 7.386 1.00 0.00 H HETATM 123 H62 UNL 1 0.591 -3.922 7.035 1.00 0.00 H HETATM 124 H63 UNL 1 -0.969 -2.987 7.390 1.00 0.00 H HETATM 125 H64 UNL 1 1.482 -2.826 9.238 1.00 0.00 H HETATM 126 H65 UNL 1 -0.137 -2.108 9.405 1.00 0.00 H HETATM 127 H66 UNL 1 0.121 -5.151 9.254 1.00 0.00 H HETATM 128 H67 UNL 1 -1.279 -4.102 9.647 1.00 0.00 H HETATM 129 H68 UNL 1 -0.260 -3.227 11.642 1.00 0.00 H HETATM 130 H69 UNL 1 1.285 -4.130 11.335 1.00 0.00 H HETATM 131 H70 UNL 1 -1.493 -5.281 11.861 1.00 0.00 H HETATM 132 H71 UNL 1 -0.080 -6.297 11.516 1.00 0.00 H HETATM 133 H72 UNL 1 -0.548 -4.312 13.780 1.00 0.00 H HETATM 134 H73 UNL 1 1.096 -5.070 13.519 1.00 0.00 H HETATM 135 H74 UNL 1 -1.646 -6.400 14.187 1.00 0.00 H HETATM 136 H75 UNL 1 -0.410 -8.029 15.384 1.00 0.00 H HETATM 137 H76 UNL 1 1.946 -8.284 14.607 1.00 0.00 H HETATM 138 H77 UNL 1 2.119 -6.484 14.337 1.00 0.00 H HETATM 139 H78 UNL 1 1.814 -8.006 16.908 1.00 0.00 H HETATM 140 H79 UNL 1 1.757 -6.204 16.830 1.00 0.00 H HETATM 141 H80 UNL 1 4.030 -7.988 15.713 1.00 0.00 H HETATM 142 H81 UNL 1 3.928 -6.212 15.673 1.00 0.00 H HETATM 143 H82 UNL 1 5.416 -7.064 17.432 1.00 0.00 H HETATM 144 H83 UNL 1 4.117 -6.001 18.088 1.00 0.00 H HETATM 145 H84 UNL 1 2.835 -8.030 18.782 1.00 0.00 H HETATM 146 H85 UNL 1 4.142 -9.075 18.189 1.00 0.00 H HETATM 147 H86 UNL 1 4.381 -8.779 20.584 1.00 0.00 H HETATM 148 H87 UNL 1 5.723 -7.972 19.754 1.00 0.00 H HETATM 149 H88 UNL 1 3.212 -6.487 20.787 1.00 0.00 H HETATM 150 H89 UNL 1 4.730 -5.767 19.989 1.00 0.00 H HETATM 151 H90 UNL 1 4.328 -6.769 22.771 1.00 0.00 H HETATM 152 H91 UNL 1 5.395 -5.479 22.116 1.00 0.00 H HETATM 153 H92 UNL 1 5.802 -7.270 21.925 1.00 0.00 H CONECT 1 2 62 63 64 CONECT 2 3 65 66 CONECT 3 4 67 68 CONECT 4 5 69 70 CONECT 5 6 71 72 CONECT 6 7 7 73 CONECT 7 8 74 CONECT 8 9 75 76 CONECT 9 10 10 77 CONECT 10 11 78 CONECT 11 12 79 80 CONECT 12 13 13 81 CONECT 13 14 82 CONECT 14 15 83 84 CONECT 15 16 16 85 CONECT 16 17 86 CONECT 17 18 87 88 CONECT 18 19 89 90 CONECT 19 20 91 92 CONECT 20 21 93 94 CONECT 21 22 95 96 CONECT 22 23 23 24 CONECT 24 25 CONECT 25 26 97 98 CONECT 26 27 38 99 CONECT 27 28 100 101 CONECT 28 29 CONECT 29 30 30 31 32 CONECT 31 102 CONECT 32 33 CONECT 33 34 103 104 CONECT 34 35 105 106 CONECT 35 36 37 CONECT 36 107 108 109 CONECT 37 110 111 112 CONECT 38 39 CONECT 39 40 40 41 CONECT 41 42 113 114 CONECT 42 43 115 116 CONECT 43 44 117 118 CONECT 44 45 119 120 CONECT 45 46 121 122 CONECT 46 47 123 124 CONECT 47 48 125 126 CONECT 48 49 127 128 CONECT 49 50 129 130 CONECT 50 51 131 132 CONECT 51 52 133 134 CONECT 52 53 53 135 CONECT 53 54 136 CONECT 54 55 137 138 CONECT 55 56 139 140 CONECT 56 57 141 142 CONECT 57 58 143 144 CONECT 58 59 145 146 CONECT 59 60 147 148 CONECT 60 61 149 150 CONECT 61 151 152 153 END