COMPND HMDB0277268 HETATM 1 C1 UNL 1 16.786 1.817 2.462 1.00 0.00 C HETATM 2 C2 UNL 1 15.806 2.876 1.976 1.00 0.00 C HETATM 3 C3 UNL 1 14.444 2.214 1.794 1.00 0.00 C HETATM 4 C4 UNL 1 14.548 1.115 0.793 1.00 0.00 C HETATM 5 C5 UNL 1 13.214 0.440 0.606 1.00 0.00 C HETATM 6 C6 UNL 1 12.222 1.402 0.124 1.00 0.00 C HETATM 7 C7 UNL 1 11.550 1.430 -0.983 1.00 0.00 C HETATM 8 C8 UNL 1 11.589 0.503 -2.095 1.00 0.00 C HETATM 9 C9 UNL 1 12.507 -0.612 -2.119 1.00 0.00 C HETATM 10 C10 UNL 1 12.186 -1.879 -2.155 1.00 0.00 C HETATM 11 C11 UNL 1 10.770 -2.365 -2.180 1.00 0.00 C HETATM 12 C12 UNL 1 10.494 -3.212 -0.976 1.00 0.00 C HETATM 13 C13 UNL 1 9.128 -3.740 -0.910 1.00 0.00 C HETATM 14 C14 UNL 1 8.018 -2.818 -0.659 1.00 0.00 C HETATM 15 C15 UNL 1 7.750 -1.668 -1.524 1.00 0.00 C HETATM 16 C16 UNL 1 6.438 -0.933 -1.119 1.00 0.00 C HETATM 17 C17 UNL 1 5.314 -1.905 -1.240 1.00 0.00 C HETATM 18 C18 UNL 1 4.012 -1.178 -0.896 1.00 0.00 C HETATM 19 C19 UNL 1 2.879 -2.188 -0.993 1.00 0.00 C HETATM 20 C20 UNL 1 1.607 -1.528 -0.685 1.00 0.00 C HETATM 21 O1 UNL 1 0.578 -2.253 -0.443 1.00 0.00 O HETATM 22 O2 UNL 1 1.441 -0.156 -0.639 1.00 0.00 O HETATM 23 C21 UNL 1 0.166 0.365 -0.328 1.00 0.00 C HETATM 24 C22 UNL 1 -0.471 1.065 -1.541 1.00 0.00 C HETATM 25 O3 UNL 1 -0.695 0.049 -2.490 1.00 0.00 O HETATM 26 C23 UNL 1 -1.875 -0.505 -2.882 1.00 0.00 C HETATM 27 O4 UNL 1 -2.067 -1.753 -2.655 1.00 0.00 O HETATM 28 C24 UNL 1 -2.997 0.183 -3.561 1.00 0.00 C HETATM 29 C25 UNL 1 -4.317 0.044 -2.895 1.00 0.00 C HETATM 30 C26 UNL 1 -4.903 -1.356 -2.933 1.00 0.00 C HETATM 31 C27 UNL 1 -6.370 -1.312 -2.547 1.00 0.00 C HETATM 32 C28 UNL 1 -6.948 -2.593 -2.090 1.00 0.00 C HETATM 33 C29 UNL 1 -6.543 -3.142 -0.784 1.00 0.00 C HETATM 34 C30 UNL 1 -6.075 -2.095 0.239 1.00 0.00 C HETATM 35 C31 UNL 1 -7.198 -1.384 0.874 1.00 0.00 C HETATM 36 O5 UNL 1 -8.313 -2.260 0.676 1.00 0.00 O HETATM 37 C32 UNL 1 -7.152 -0.927 2.257 1.00 0.00 C HETATM 38 C33 UNL 1 -6.981 0.433 2.710 1.00 0.00 C HETATM 39 O6 UNL 1 -6.364 0.375 4.009 1.00 0.00 O HETATM 40 C34 UNL 1 -6.425 1.560 1.999 1.00 0.00 C HETATM 41 C35 UNL 1 -7.577 2.380 1.416 1.00 0.00 C HETATM 42 C36 UNL 1 -8.772 1.940 1.199 1.00 0.00 C HETATM 43 C37 UNL 1 -9.817 2.830 0.627 1.00 0.00 C HETATM 44 O7 UNL 1 -9.365 4.137 0.446 1.00 0.00 O HETATM 45 C38 UNL 1 -10.360 2.324 -0.677 1.00 0.00 C HETATM 46 C39 UNL 1 -10.994 0.978 -0.589 1.00 0.00 C HETATM 47 C40 UNL 1 -12.160 0.929 0.363 1.00 0.00 C HETATM 48 C41 UNL 1 -13.260 1.885 -0.042 1.00 0.00 C HETATM 49 C42 UNL 1 -14.408 1.783 0.958 1.00 0.00 C HETATM 50 C43 UNL 1 -5.376 1.551 1.007 1.00 0.00 C HETATM 51 O8 UNL 1 -5.527 2.809 0.289 1.00 0.00 O HETATM 52 C44 UNL 1 -3.948 1.543 1.253 1.00 0.00 C HETATM 53 O9 UNL 1 -3.607 2.836 1.775 1.00 0.00 O HETATM 54 C45 UNL 1 -3.136 0.622 1.969 1.00 0.00 C HETATM 55 O10 UNL 1 -2.620 1.189 3.165 1.00 0.00 O HETATM 56 P1 UNL 1 -1.251 2.155 2.799 1.00 0.00 P HETATM 57 O11 UNL 1 -0.095 1.656 3.610 1.00 0.00 O HETATM 58 O12 UNL 1 -1.583 3.762 3.176 1.00 0.00 O HETATM 59 O13 UNL 1 -0.920 1.966 1.128 1.00 0.00 O HETATM 60 C46 UNL 1 0.208 1.229 0.887 1.00 0.00 C HETATM 61 C47 UNL 1 -3.493 -0.804 2.226 1.00 0.00 C HETATM 62 O14 UNL 1 -2.310 -1.369 2.812 1.00 0.00 O HETATM 63 C48 UNL 1 -3.744 -1.607 1.023 1.00 0.00 C HETATM 64 O15 UNL 1 -2.564 -2.232 0.555 1.00 0.00 O HETATM 65 C49 UNL 1 -4.922 -2.565 1.066 1.00 0.00 C HETATM 66 O16 UNL 1 -4.445 -3.728 0.389 1.00 0.00 O HETATM 67 H1 UNL 1 16.248 0.940 2.860 1.00 0.00 H HETATM 68 H2 UNL 1 17.440 2.280 3.245 1.00 0.00 H HETATM 69 H3 UNL 1 17.434 1.504 1.598 1.00 0.00 H HETATM 70 H4 UNL 1 16.137 3.297 1.009 1.00 0.00 H HETATM 71 H5 UNL 1 15.715 3.655 2.773 1.00 0.00 H HETATM 72 H6 UNL 1 13.756 3.001 1.411 1.00 0.00 H HETATM 73 H7 UNL 1 14.060 1.856 2.766 1.00 0.00 H HETATM 74 H8 UNL 1 15.321 0.368 1.123 1.00 0.00 H HETATM 75 H9 UNL 1 14.898 1.552 -0.179 1.00 0.00 H HETATM 76 H10 UNL 1 12.929 0.147 1.698 1.00 0.00 H HETATM 77 H11 UNL 1 13.312 -0.482 0.052 1.00 0.00 H HETATM 78 H12 UNL 1 11.990 2.262 0.825 1.00 0.00 H HETATM 79 H13 UNL 1 10.821 2.287 -1.134 1.00 0.00 H HETATM 80 H14 UNL 1 11.845 1.160 -3.016 1.00 0.00 H HETATM 81 H15 UNL 1 10.537 0.186 -2.352 1.00 0.00 H HETATM 82 H16 UNL 1 13.618 -0.429 -2.148 1.00 0.00 H HETATM 83 H17 UNL 1 12.955 -2.666 -2.167 1.00 0.00 H HETATM 84 H18 UNL 1 10.793 -3.150 -3.045 1.00 0.00 H HETATM 85 H19 UNL 1 10.032 -1.680 -2.487 1.00 0.00 H HETATM 86 H20 UNL 1 11.265 -4.050 -0.935 1.00 0.00 H HETATM 87 H21 UNL 1 10.650 -2.588 -0.024 1.00 0.00 H HETATM 88 H22 UNL 1 9.105 -4.608 -0.157 1.00 0.00 H HETATM 89 H23 UNL 1 8.945 -4.297 -1.910 1.00 0.00 H HETATM 90 H24 UNL 1 8.073 -2.400 0.414 1.00 0.00 H HETATM 91 H25 UNL 1 7.096 -3.490 -0.547 1.00 0.00 H HETATM 92 H26 UNL 1 7.637 -1.931 -2.575 1.00 0.00 H HETATM 93 H27 UNL 1 8.509 -0.832 -1.382 1.00 0.00 H HETATM 94 H28 UNL 1 6.277 -0.126 -1.840 1.00 0.00 H HETATM 95 H29 UNL 1 6.559 -0.516 -0.110 1.00 0.00 H HETATM 96 H30 UNL 1 5.338 -2.750 -0.511 1.00 0.00 H HETATM 97 H31 UNL 1 5.213 -2.356 -2.233 1.00 0.00 H HETATM 98 H32 UNL 1 4.021 -0.727 0.099 1.00 0.00 H HETATM 99 H33 UNL 1 3.891 -0.374 -1.644 1.00 0.00 H HETATM 100 H34 UNL 1 2.875 -2.654 -2.008 1.00 0.00 H HETATM 101 H35 UNL 1 3.020 -3.016 -0.271 1.00 0.00 H HETATM 102 H36 UNL 1 -0.563 -0.474 -0.121 1.00 0.00 H HETATM 103 H37 UNL 1 0.264 1.775 -2.000 1.00 0.00 H HETATM 104 H38 UNL 1 -1.366 1.592 -1.209 1.00 0.00 H HETATM 105 H39 UNL 1 -2.751 1.284 -3.554 1.00 0.00 H HETATM 106 H40 UNL 1 -3.078 -0.096 -4.631 1.00 0.00 H HETATM 107 H41 UNL 1 -5.071 0.750 -3.311 1.00 0.00 H HETATM 108 H42 UNL 1 -4.183 0.335 -1.829 1.00 0.00 H HETATM 109 H43 UNL 1 -4.780 -1.697 -4.005 1.00 0.00 H HETATM 110 H44 UNL 1 -4.336 -2.091 -2.337 1.00 0.00 H HETATM 111 H45 UNL 1 -6.893 -1.087 -3.534 1.00 0.00 H HETATM 112 H46 UNL 1 -6.620 -0.415 -1.944 1.00 0.00 H HETATM 113 H47 UNL 1 -6.724 -3.354 -2.882 1.00 0.00 H HETATM 114 H48 UNL 1 -8.071 -2.439 -2.064 1.00 0.00 H HETATM 115 H49 UNL 1 -7.420 -3.704 -0.347 1.00 0.00 H HETATM 116 H50 UNL 1 -5.783 -3.936 -0.944 1.00 0.00 H HETATM 117 H51 UNL 1 -5.601 -1.343 -0.468 1.00 0.00 H HETATM 118 H52 UNL 1 -7.542 -0.507 0.241 1.00 0.00 H HETATM 119 H53 UNL 1 -8.439 -2.685 1.580 1.00 0.00 H HETATM 120 H54 UNL 1 -6.408 -1.601 2.790 1.00 0.00 H HETATM 121 H55 UNL 1 -8.089 -1.350 2.770 1.00 0.00 H HETATM 122 H56 UNL 1 -7.993 0.814 3.111 1.00 0.00 H HETATM 123 H57 UNL 1 -6.087 1.260 4.301 1.00 0.00 H HETATM 124 H58 UNL 1 -6.053 2.307 2.786 1.00 0.00 H HETATM 125 H59 UNL 1 -7.371 3.428 1.161 1.00 0.00 H HETATM 126 H60 UNL 1 -9.041 0.937 1.416 1.00 0.00 H HETATM 127 H61 UNL 1 -10.660 2.885 1.343 1.00 0.00 H HETATM 128 H62 UNL 1 -9.388 4.454 -0.471 1.00 0.00 H HETATM 129 H63 UNL 1 -11.100 3.042 -1.082 1.00 0.00 H HETATM 130 H64 UNL 1 -9.556 2.262 -1.459 1.00 0.00 H HETATM 131 H65 UNL 1 -10.278 0.151 -0.425 1.00 0.00 H HETATM 132 H66 UNL 1 -11.434 0.770 -1.610 1.00 0.00 H HETATM 133 H67 UNL 1 -12.613 -0.082 0.410 1.00 0.00 H HETATM 134 H68 UNL 1 -11.843 1.210 1.387 1.00 0.00 H HETATM 135 H69 UNL 1 -13.683 1.639 -1.036 1.00 0.00 H HETATM 136 H70 UNL 1 -12.879 2.921 -0.107 1.00 0.00 H HETATM 137 H71 UNL 1 -15.314 2.118 0.444 1.00 0.00 H HETATM 138 H72 UNL 1 -14.149 2.430 1.830 1.00 0.00 H HETATM 139 H73 UNL 1 -14.543 0.757 1.319 1.00 0.00 H HETATM 140 H74 UNL 1 -5.613 0.893 0.116 1.00 0.00 H HETATM 141 H75 UNL 1 -4.964 2.796 -0.505 1.00 0.00 H HETATM 142 H76 UNL 1 -3.499 1.666 0.194 1.00 0.00 H HETATM 143 H77 UNL 1 -4.016 3.533 1.218 1.00 0.00 H HETATM 144 H78 UNL 1 -2.153 0.503 1.388 1.00 0.00 H HETATM 145 H79 UNL 1 -1.424 4.381 2.441 1.00 0.00 H HETATM 146 H80 UNL 1 0.441 0.661 1.812 1.00 0.00 H HETATM 147 H81 UNL 1 1.062 1.963 0.791 1.00 0.00 H HETATM 148 H82 UNL 1 -4.179 -0.871 3.062 1.00 0.00 H HETATM 149 H83 UNL 1 -2.042 -0.825 3.595 1.00 0.00 H HETATM 150 H84 UNL 1 -3.989 -0.893 0.181 1.00 0.00 H HETATM 151 H85 UNL 1 -2.248 -2.932 1.158 1.00 0.00 H HETATM 152 H86 UNL 1 -5.133 -2.947 2.058 1.00 0.00 H HETATM 153 H87 UNL 1 -4.827 -4.546 0.748 1.00 0.00 H CONECT 1 2 67 68 69 CONECT 2 3 70 71 CONECT 3 4 72 73 CONECT 4 5 74 75 CONECT 5 6 76 77 CONECT 6 7 7 78 CONECT 7 8 79 CONECT 8 9 80 81 CONECT 9 10 10 82 CONECT 10 11 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 60 102 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 65 117 CONECT 35 36 37 118 CONECT 36 119 CONECT 37 38 120 121 CONECT 38 39 40 122 CONECT 39 123 CONECT 40 41 50 124 CONECT 41 42 42 125 CONECT 42 43 126 CONECT 43 44 45 127 CONECT 44 128 CONECT 45 46 129 130 CONECT 46 47 131 132 CONECT 47 48 133 134 CONECT 48 49 135 136 CONECT 49 137 138 139 CONECT 50 51 52 140 CONECT 51 141 CONECT 52 53 54 142 CONECT 53 143 CONECT 54 55 61 144 CONECT 55 56 CONECT 56 57 57 58 59 CONECT 58 145 CONECT 59 60 CONECT 60 146 147 CONECT 61 62 63 148 CONECT 62 149 CONECT 63 64 65 150 CONECT 64 151 CONECT 65 66 152 CONECT 66 153 END