COMPND HMDB0037256 HETATM 1 C1 UNL 1 -11.983 -4.100 -0.940 1.00 0.00 C HETATM 2 C2 UNL 1 -11.213 -3.365 -1.983 1.00 0.00 C HETATM 3 C3 UNL 1 -10.574 -2.114 -1.446 1.00 0.00 C HETATM 4 C4 UNL 1 -10.868 -0.895 -1.916 1.00 0.00 C HETATM 5 C5 UNL 1 -11.819 -0.482 -2.979 1.00 0.00 C HETATM 6 C6 UNL 1 -10.032 -0.016 -1.123 1.00 0.00 C HETATM 7 C7 UNL 1 -9.764 1.315 -1.156 1.00 0.00 C HETATM 8 C8 UNL 1 -8.408 1.839 -1.114 1.00 0.00 C HETATM 9 C9 UNL 1 -8.160 3.230 -1.056 1.00 0.00 C HETATM 10 C10 UNL 1 -9.120 4.332 -0.945 1.00 0.00 C HETATM 11 O1 UNL 1 -10.333 4.093 -0.887 1.00 0.00 O HETATM 12 C11 UNL 1 -6.817 3.363 -1.117 1.00 0.00 C HETATM 13 C12 UNL 1 -6.168 4.732 -1.084 1.00 0.00 C HETATM 14 C13 UNL 1 -6.202 2.098 -1.211 1.00 0.00 C HETATM 15 N1 UNL 1 -7.229 1.255 -1.198 1.00 0.00 N HETATM 16 MG1 UNL 1 -7.074 -0.825 -1.250 1.00 0.00 MG HETATM 17 N2 UNL 1 -6.913 -1.781 0.583 1.00 0.00 N HETATM 18 C14 UNL 1 -5.989 -1.642 1.494 1.00 0.00 C HETATM 19 C15 UNL 1 -6.220 -2.492 2.593 1.00 0.00 C HETATM 20 C16 UNL 1 -7.367 -3.170 2.281 1.00 0.00 C HETATM 21 C17 UNL 1 -8.007 -4.189 3.144 1.00 0.00 C HETATM 22 C18 UNL 1 -7.772 -2.694 1.012 1.00 0.00 C HETATM 23 C19 UNL 1 -8.862 -3.049 0.345 1.00 0.00 C HETATM 24 C20 UNL 1 -9.593 -2.010 -0.402 1.00 0.00 C HETATM 25 N3 UNL 1 -9.310 -0.789 -0.231 1.00 0.00 N HETATM 26 C21 UNL 1 -5.142 -2.252 3.565 1.00 0.00 C HETATM 27 O2 UNL 1 -4.776 -3.048 4.426 1.00 0.00 O HETATM 28 C22 UNL 1 -4.667 -0.861 3.217 1.00 0.00 C HETATM 29 C23 UNL 1 -5.515 0.165 3.820 1.00 0.00 C HETATM 30 O3 UNL 1 -5.041 1.029 4.582 1.00 0.00 O HETATM 31 O4 UNL 1 -6.866 0.177 3.541 1.00 0.00 O HETATM 32 C24 UNL 1 -7.761 1.126 4.075 1.00 0.00 C HETATM 33 C25 UNL 1 -4.920 -0.967 1.705 1.00 0.00 C HETATM 34 C26 UNL 1 -4.006 -0.369 0.750 1.00 0.00 C HETATM 35 N4 UNL 1 -4.372 -0.140 -0.421 1.00 0.00 N HETATM 36 C27 UNL 1 -3.945 1.112 -0.773 1.00 0.00 C HETATM 37 C28 UNL 1 -4.785 1.923 -1.365 1.00 0.00 C HETATM 38 C29 UNL 1 -2.513 1.114 -0.298 1.00 0.00 C HETATM 39 C30 UNL 1 -2.202 2.462 0.337 1.00 0.00 C HETATM 40 C31 UNL 1 -2.556 0.100 0.805 1.00 0.00 C HETATM 41 C32 UNL 1 -1.672 -1.065 0.509 1.00 0.00 C HETATM 42 C33 UNL 1 -0.215 -0.890 0.538 1.00 0.00 C HETATM 43 C34 UNL 1 0.396 0.033 -0.417 1.00 0.00 C HETATM 44 O5 UNL 1 0.704 -0.347 -1.583 1.00 0.00 O HETATM 45 O6 UNL 1 0.661 1.328 -0.094 1.00 0.00 O HETATM 46 C35 UNL 1 1.257 2.303 -0.909 1.00 0.00 C HETATM 47 C36 UNL 1 2.671 1.982 -1.223 1.00 0.00 C HETATM 48 C37 UNL 1 3.630 2.812 -0.872 1.00 0.00 C HETATM 49 C38 UNL 1 3.185 4.080 -0.157 1.00 0.00 C HETATM 50 C39 UNL 1 5.072 2.605 -1.044 1.00 0.00 C HETATM 51 C40 UNL 1 5.554 1.305 -1.556 1.00 0.00 C HETATM 52 C41 UNL 1 5.291 0.198 -0.598 1.00 0.00 C HETATM 53 C42 UNL 1 5.832 -1.139 -1.070 1.00 0.00 C HETATM 54 C43 UNL 1 5.504 -2.177 -0.045 1.00 0.00 C HETATM 55 C44 UNL 1 7.353 -1.057 -1.256 1.00 0.00 C HETATM 56 C45 UNL 1 8.032 -0.693 0.009 1.00 0.00 C HETATM 57 C46 UNL 1 9.546 -0.575 -0.170 1.00 0.00 C HETATM 58 C47 UNL 1 10.211 -1.820 -0.605 1.00 0.00 C HETATM 59 C48 UNL 1 10.047 -2.955 0.402 1.00 0.00 C HETATM 60 C49 UNL 1 11.583 -1.662 -1.111 1.00 0.00 C HETATM 61 C50 UNL 1 12.665 -1.110 -0.294 1.00 0.00 C HETATM 62 C51 UNL 1 12.598 0.306 0.151 1.00 0.00 C HETATM 63 C52 UNL 1 13.890 0.585 0.972 1.00 0.00 C HETATM 64 C53 UNL 1 13.862 2.012 1.445 1.00 0.00 C HETATM 65 C54 UNL 1 15.085 0.407 0.074 1.00 0.00 C HETATM 66 H1 UNL 1 -13.054 -4.145 -1.285 1.00 0.00 H HETATM 67 H2 UNL 1 -11.624 -5.164 -0.837 1.00 0.00 H HETATM 68 H3 UNL 1 -12.003 -3.604 0.034 1.00 0.00 H HETATM 69 H4 UNL 1 -10.378 -4.043 -2.333 1.00 0.00 H HETATM 70 H5 UNL 1 -11.814 -3.150 -2.869 1.00 0.00 H HETATM 71 H6 UNL 1 -12.838 -0.429 -2.556 1.00 0.00 H HETATM 72 H7 UNL 1 -11.794 -1.280 -3.756 1.00 0.00 H HETATM 73 H8 UNL 1 -11.546 0.513 -3.339 1.00 0.00 H HETATM 74 H9 UNL 1 -10.670 1.893 -1.238 1.00 0.00 H HETATM 75 H10 UNL 1 -8.789 5.348 -0.913 1.00 0.00 H HETATM 76 H11 UNL 1 -6.485 5.238 -0.147 1.00 0.00 H HETATM 77 H12 UNL 1 -5.078 4.605 -1.165 1.00 0.00 H HETATM 78 H13 UNL 1 -6.582 5.277 -1.958 1.00 0.00 H HETATM 79 H14 UNL 1 -8.332 -3.658 4.075 1.00 0.00 H HETATM 80 H15 UNL 1 -8.923 -4.525 2.619 1.00 0.00 H HETATM 81 H16 UNL 1 -7.332 -5.020 3.343 1.00 0.00 H HETATM 82 H17 UNL 1 -9.167 -4.064 0.376 1.00 0.00 H HETATM 83 H18 UNL 1 -3.618 -0.849 3.473 1.00 0.00 H HETATM 84 H19 UNL 1 -7.437 1.411 5.089 1.00 0.00 H HETATM 85 H20 UNL 1 -7.786 1.992 3.373 1.00 0.00 H HETATM 86 H21 UNL 1 -8.804 0.701 4.134 1.00 0.00 H HETATM 87 H22 UNL 1 -4.226 2.575 -2.112 1.00 0.00 H HETATM 88 H23 UNL 1 -1.819 0.938 -1.103 1.00 0.00 H HETATM 89 H24 UNL 1 -1.778 3.182 -0.390 1.00 0.00 H HETATM 90 H25 UNL 1 -3.175 2.878 0.679 1.00 0.00 H HETATM 91 H26 UNL 1 -1.574 2.353 1.243 1.00 0.00 H HETATM 92 H27 UNL 1 -2.350 0.535 1.802 1.00 0.00 H HETATM 93 H28 UNL 1 -1.932 -1.538 -0.482 1.00 0.00 H HETATM 94 H29 UNL 1 -1.905 -1.922 1.231 1.00 0.00 H HETATM 95 H30 UNL 1 0.226 -1.911 0.285 1.00 0.00 H HETATM 96 H31 UNL 1 0.184 -0.665 1.570 1.00 0.00 H HETATM 97 H32 UNL 1 1.209 3.256 -0.371 1.00 0.00 H HETATM 98 H33 UNL 1 0.716 2.387 -1.890 1.00 0.00 H HETATM 99 H34 UNL 1 2.886 1.070 -1.778 1.00 0.00 H HETATM 100 H35 UNL 1 4.089 4.703 0.035 1.00 0.00 H HETATM 101 H36 UNL 1 2.528 4.671 -0.785 1.00 0.00 H HETATM 102 H37 UNL 1 2.741 3.763 0.801 1.00 0.00 H HETATM 103 H38 UNL 1 5.513 3.432 -1.688 1.00 0.00 H HETATM 104 H39 UNL 1 5.554 2.819 -0.034 1.00 0.00 H HETATM 105 H40 UNL 1 6.638 1.356 -1.859 1.00 0.00 H HETATM 106 H41 UNL 1 5.039 1.118 -2.552 1.00 0.00 H HETATM 107 H42 UNL 1 4.233 0.055 -0.403 1.00 0.00 H HETATM 108 H43 UNL 1 5.733 0.426 0.423 1.00 0.00 H HETATM 109 H44 UNL 1 5.387 -1.382 -2.043 1.00 0.00 H HETATM 110 H45 UNL 1 4.843 -2.941 -0.524 1.00 0.00 H HETATM 111 H46 UNL 1 4.944 -1.734 0.796 1.00 0.00 H HETATM 112 H47 UNL 1 6.405 -2.718 0.313 1.00 0.00 H HETATM 113 H48 UNL 1 7.568 -0.411 -2.107 1.00 0.00 H HETATM 114 H49 UNL 1 7.627 -2.102 -1.591 1.00 0.00 H HETATM 115 H50 UNL 1 7.783 -1.329 0.865 1.00 0.00 H HETATM 116 H51 UNL 1 7.717 0.361 0.263 1.00 0.00 H HETATM 117 H52 UNL 1 9.902 -0.330 0.884 1.00 0.00 H HETATM 118 H53 UNL 1 9.775 0.259 -0.833 1.00 0.00 H HETATM 119 H54 UNL 1 9.565 -2.212 -1.491 1.00 0.00 H HETATM 120 H55 UNL 1 8.978 -3.069 0.612 1.00 0.00 H HETATM 121 H56 UNL 1 10.431 -3.879 -0.054 1.00 0.00 H HETATM 122 H57 UNL 1 10.559 -2.690 1.348 1.00 0.00 H HETATM 123 H58 UNL 1 11.511 -0.996 -2.037 1.00 0.00 H HETATM 124 H59 UNL 1 11.880 -2.653 -1.582 1.00 0.00 H HETATM 125 H60 UNL 1 13.635 -1.282 -0.881 1.00 0.00 H HETATM 126 H61 UNL 1 12.846 -1.749 0.638 1.00 0.00 H HETATM 127 H62 UNL 1 12.660 0.948 -0.760 1.00 0.00 H HETATM 128 H63 UNL 1 11.798 0.598 0.801 1.00 0.00 H HETATM 129 H64 UNL 1 13.928 -0.143 1.787 1.00 0.00 H HETATM 130 H65 UNL 1 14.407 2.111 2.422 1.00 0.00 H HETATM 131 H66 UNL 1 14.383 2.682 0.740 1.00 0.00 H HETATM 132 H67 UNL 1 12.818 2.320 1.585 1.00 0.00 H HETATM 133 H68 UNL 1 15.911 1.092 0.412 1.00 0.00 H HETATM 134 H69 UNL 1 15.508 -0.615 0.175 1.00 0.00 H HETATM 135 H70 UNL 1 14.878 0.650 -0.965 1.00 0.00 H CONECT 1 2 66 67 68 CONECT 2 3 69 70 CONECT 3 4 4 24 CONECT 4 5 6 CONECT 5 71 72 73 CONECT 6 7 7 25 CONECT 7 8 74 CONECT 8 9 9 15 CONECT 9 10 12 CONECT 10 11 11 75 CONECT 12 13 14 14 CONECT 13 76 77 78 CONECT 14 15 37 CONECT 15 16 CONECT 16 17 CONECT 17 18 22 CONECT 18 19 33 33 CONECT 19 20 20 26 CONECT 20 21 22 CONECT 21 79 80 81 CONECT 22 23 23 CONECT 23 24 82 CONECT 24 25 25 CONECT 26 27 27 28 CONECT 28 29 33 83 CONECT 29 30 30 31 CONECT 31 32 CONECT 32 84 85 86 CONECT 33 34 CONECT 34 35 35 40 CONECT 35 36 CONECT 36 37 37 38 CONECT 37 87 CONECT 38 39 40 88 CONECT 39 89 90 91 CONECT 40 41 92 CONECT 41 42 93 94 CONECT 42 43 95 96 CONECT 43 44 44 45 CONECT 45 46 CONECT 46 47 97 98 CONECT 47 48 48 99 CONECT 48 49 50 CONECT 49 100 101 102 CONECT 50 51 103 104 CONECT 51 52 105 106 CONECT 52 53 107 108 CONECT 53 54 55 109 CONECT 54 110 111 112 CONECT 55 56 113 114 CONECT 56 57 115 116 CONECT 57 58 117 118 CONECT 58 59 60 119 CONECT 59 120 121 122 CONECT 60 61 123 124 CONECT 61 62 125 126 CONECT 62 63 127 128 CONECT 63 64 65 129 CONECT 64 130 131 132 CONECT 65 133 134 135 END