COMPND HMDB0278088 HETATM 1 C1 UNL 1 -9.002 -1.248 3.172 1.00 0.00 C HETATM 2 C2 UNL 1 -7.941 -0.147 3.359 1.00 0.00 C HETATM 3 C3 UNL 1 -6.981 -0.647 4.309 1.00 0.00 C HETATM 4 C4 UNL 1 -5.712 -0.828 4.071 1.00 0.00 C HETATM 5 C5 UNL 1 -5.134 -0.530 2.779 1.00 0.00 C HETATM 6 C6 UNL 1 -4.538 -1.720 2.040 1.00 0.00 C HETATM 7 O1 UNL 1 -3.549 -2.484 2.512 1.00 0.00 O HETATM 8 C7 UNL 1 -4.965 -3.077 2.246 1.00 0.00 C HETATM 9 C8 UNL 1 -5.157 -3.920 3.409 1.00 0.00 C HETATM 10 C9 UNL 1 -5.665 -5.244 3.443 1.00 0.00 C HETATM 11 C10 UNL 1 -6.168 -6.080 2.646 1.00 0.00 C HETATM 12 C11 UNL 1 -6.420 -5.884 1.220 1.00 0.00 C HETATM 13 C12 UNL 1 -5.708 -6.877 0.427 1.00 0.00 C HETATM 14 C13 UNL 1 -4.895 -6.693 -0.567 1.00 0.00 C HETATM 15 C14 UNL 1 -4.606 -5.314 -1.037 1.00 0.00 C HETATM 16 C15 UNL 1 -4.897 -5.120 -2.464 1.00 0.00 C HETATM 17 C16 UNL 1 -3.987 -4.782 -3.323 1.00 0.00 C HETATM 18 C17 UNL 1 -2.571 -4.524 -3.211 1.00 0.00 C HETATM 19 C18 UNL 1 -1.809 -4.695 -2.010 1.00 0.00 C HETATM 20 C19 UNL 1 -1.208 -3.716 -1.385 1.00 0.00 C HETATM 21 C20 UNL 1 -1.242 -2.335 -1.828 1.00 0.00 C HETATM 22 C21 UNL 1 0.121 -1.761 -2.157 1.00 0.00 C HETATM 23 C22 UNL 1 -0.126 -0.320 -2.534 1.00 0.00 C HETATM 24 O2 UNL 1 -0.181 0.527 -1.571 1.00 0.00 O HETATM 25 O3 UNL 1 -0.289 0.141 -3.798 1.00 0.00 O HETATM 26 C23 UNL 1 -0.502 1.488 -4.151 1.00 0.00 C HETATM 27 C24 UNL 1 0.756 2.262 -3.754 1.00 0.00 C HETATM 28 C25 UNL 1 0.586 3.748 -3.970 1.00 0.00 C HETATM 29 O4 UNL 1 -0.515 4.204 -3.219 1.00 0.00 O HETATM 30 P1 UNL 1 -0.788 5.842 -3.364 1.00 0.00 P HETATM 31 O5 UNL 1 -0.547 6.252 -4.799 1.00 0.00 O HETATM 32 O6 UNL 1 -2.380 6.262 -2.971 1.00 0.00 O HETATM 33 O7 UNL 1 0.316 6.673 -2.379 1.00 0.00 O HETATM 34 C26 UNL 1 0.048 6.402 -1.019 1.00 0.00 C HETATM 35 C27 UNL 1 1.306 5.825 -0.435 1.00 0.00 C HETATM 36 O8 UNL 1 1.473 4.503 -0.854 1.00 0.00 O HETATM 37 C28 UNL 1 1.367 5.849 1.061 1.00 0.00 C HETATM 38 O9 UNL 1 2.636 5.381 1.418 1.00 0.00 O HETATM 39 C29 UNL 1 1.207 7.300 1.510 1.00 0.00 C HETATM 40 O10 UNL 1 1.410 7.428 2.880 1.00 0.00 O HETATM 41 C30 UNL 1 -0.207 7.691 1.134 1.00 0.00 C HETATM 42 O11 UNL 1 -0.549 8.938 1.610 1.00 0.00 O HETATM 43 C31 UNL 1 -0.354 7.678 -0.365 1.00 0.00 C HETATM 44 O12 UNL 1 0.343 8.744 -0.918 1.00 0.00 O HETATM 45 O13 UNL 1 1.837 1.703 -4.458 1.00 0.00 O HETATM 46 C32 UNL 1 2.878 1.065 -3.803 1.00 0.00 C HETATM 47 O14 UNL 1 2.808 1.030 -2.535 1.00 0.00 O HETATM 48 C33 UNL 1 3.997 0.460 -4.555 1.00 0.00 C HETATM 49 C34 UNL 1 4.951 -0.276 -3.629 1.00 0.00 C HETATM 50 C35 UNL 1 6.067 -0.940 -4.404 1.00 0.00 C HETATM 51 C36 UNL 1 6.999 -1.699 -3.520 1.00 0.00 C HETATM 52 C37 UNL 1 7.735 -0.832 -2.495 1.00 0.00 C HETATM 53 C38 UNL 1 8.536 -1.767 -1.690 1.00 0.00 C HETATM 54 C39 UNL 1 8.382 -1.889 -0.403 1.00 0.00 C HETATM 55 C40 UNL 1 7.399 -1.103 0.358 1.00 0.00 C HETATM 56 C41 UNL 1 8.187 -0.361 1.409 1.00 0.00 C HETATM 57 C42 UNL 1 7.983 -0.445 2.684 1.00 0.00 C HETATM 58 C43 UNL 1 6.912 -1.309 3.263 1.00 0.00 C HETATM 59 C44 UNL 1 5.982 -0.417 3.992 1.00 0.00 C HETATM 60 C45 UNL 1 4.717 -0.277 3.688 1.00 0.00 C HETATM 61 C46 UNL 1 4.022 -0.970 2.589 1.00 0.00 C HETATM 62 C47 UNL 1 2.900 -1.744 3.122 1.00 0.00 C HETATM 63 C48 UNL 1 1.664 -1.537 2.745 1.00 0.00 C HETATM 64 C49 UNL 1 1.291 -0.523 1.766 1.00 0.00 C HETATM 65 C50 UNL 1 0.320 0.457 2.448 1.00 0.00 C HETATM 66 C51 UNL 1 1.062 1.070 3.604 1.00 0.00 C HETATM 67 C52 UNL 1 0.209 2.073 4.351 1.00 0.00 C HETATM 68 C53 UNL 1 -1.039 1.476 4.919 1.00 0.00 C HETATM 69 H1 UNL 1 -8.617 -2.230 3.517 1.00 0.00 H HETATM 70 H2 UNL 1 -9.264 -1.378 2.103 1.00 0.00 H HETATM 71 H3 UNL 1 -9.922 -1.049 3.738 1.00 0.00 H HETATM 72 H4 UNL 1 -8.521 0.684 3.870 1.00 0.00 H HETATM 73 H5 UNL 1 -7.661 0.160 2.374 1.00 0.00 H HETATM 74 H6 UNL 1 -7.353 -0.895 5.322 1.00 0.00 H HETATM 75 H7 UNL 1 -5.007 -1.205 4.846 1.00 0.00 H HETATM 76 H8 UNL 1 -5.699 0.045 2.072 1.00 0.00 H HETATM 77 H9 UNL 1 -4.214 0.113 2.996 1.00 0.00 H HETATM 78 H10 UNL 1 -4.353 -1.411 0.955 1.00 0.00 H HETATM 79 H11 UNL 1 -4.634 -3.766 1.357 1.00 0.00 H HETATM 80 H12 UNL 1 -5.734 -3.352 4.241 1.00 0.00 H HETATM 81 H13 UNL 1 -4.157 -3.985 3.964 1.00 0.00 H HETATM 82 H14 UNL 1 -5.591 -5.670 4.530 1.00 0.00 H HETATM 83 H15 UNL 1 -6.460 -7.104 3.071 1.00 0.00 H HETATM 84 H16 UNL 1 -6.558 -4.884 0.877 1.00 0.00 H HETATM 85 H17 UNL 1 -7.531 -6.269 1.138 1.00 0.00 H HETATM 86 H18 UNL 1 -5.875 -7.952 0.706 1.00 0.00 H HETATM 87 H19 UNL 1 -4.415 -7.563 -1.068 1.00 0.00 H HETATM 88 H20 UNL 1 -5.326 -4.603 -0.474 1.00 0.00 H HETATM 89 H21 UNL 1 -3.646 -4.984 -0.736 1.00 0.00 H HETATM 90 H22 UNL 1 -5.940 -5.270 -2.805 1.00 0.00 H HETATM 91 H23 UNL 1 -4.414 -4.673 -4.380 1.00 0.00 H HETATM 92 H24 UNL 1 -2.339 -3.561 -3.761 1.00 0.00 H HETATM 93 H25 UNL 1 -2.089 -5.276 -3.973 1.00 0.00 H HETATM 94 H26 UNL 1 -1.651 -5.701 -1.531 1.00 0.00 H HETATM 95 H27 UNL 1 -0.623 -3.906 -0.453 1.00 0.00 H HETATM 96 H28 UNL 1 -1.937 -2.051 -2.607 1.00 0.00 H HETATM 97 H29 UNL 1 -1.575 -1.726 -0.921 1.00 0.00 H HETATM 98 H30 UNL 1 0.738 -1.856 -1.270 1.00 0.00 H HETATM 99 H31 UNL 1 0.617 -2.304 -2.982 1.00 0.00 H HETATM 100 H32 UNL 1 -1.367 1.909 -3.556 1.00 0.00 H HETATM 101 H33 UNL 1 -0.771 1.627 -5.197 1.00 0.00 H HETATM 102 H34 UNL 1 0.927 2.110 -2.680 1.00 0.00 H HETATM 103 H35 UNL 1 0.369 3.996 -5.022 1.00 0.00 H HETATM 104 H36 UNL 1 1.483 4.285 -3.608 1.00 0.00 H HETATM 105 H37 UNL 1 -2.709 5.810 -2.154 1.00 0.00 H HETATM 106 H38 UNL 1 -0.800 5.691 -0.923 1.00 0.00 H HETATM 107 H39 UNL 1 2.147 6.467 -0.822 1.00 0.00 H HETATM 108 H40 UNL 1 2.358 4.218 -0.488 1.00 0.00 H HETATM 109 H41 UNL 1 0.556 5.251 1.513 1.00 0.00 H HETATM 110 H42 UNL 1 3.298 5.973 0.969 1.00 0.00 H HETATM 111 H43 UNL 1 1.897 7.941 0.909 1.00 0.00 H HETATM 112 H44 UNL 1 1.912 6.604 3.180 1.00 0.00 H HETATM 113 H45 UNL 1 -0.884 6.945 1.604 1.00 0.00 H HETATM 114 H46 UNL 1 -0.176 9.009 2.539 1.00 0.00 H HETATM 115 H47 UNL 1 -1.457 7.836 -0.558 1.00 0.00 H HETATM 116 H48 UNL 1 -0.031 9.587 -0.542 1.00 0.00 H HETATM 117 H49 UNL 1 3.594 -0.328 -5.254 1.00 0.00 H HETATM 118 H50 UNL 1 4.589 1.174 -5.149 1.00 0.00 H HETATM 119 H51 UNL 1 4.423 -1.055 -3.034 1.00 0.00 H HETATM 120 H52 UNL 1 5.408 0.406 -2.894 1.00 0.00 H HETATM 121 H53 UNL 1 5.621 -1.616 -5.184 1.00 0.00 H HETATM 122 H54 UNL 1 6.621 -0.165 -5.007 1.00 0.00 H HETATM 123 H55 UNL 1 6.407 -2.479 -2.994 1.00 0.00 H HETATM 124 H56 UNL 1 7.731 -2.245 -4.159 1.00 0.00 H HETATM 125 H57 UNL 1 7.084 -0.145 -1.994 1.00 0.00 H HETATM 126 H58 UNL 1 8.463 -0.227 -3.144 1.00 0.00 H HETATM 127 H59 UNL 1 9.278 -2.361 -2.256 1.00 0.00 H HETATM 128 H60 UNL 1 9.004 -2.606 0.161 1.00 0.00 H HETATM 129 H61 UNL 1 6.683 -1.826 0.787 1.00 0.00 H HETATM 130 H62 UNL 1 6.860 -0.323 -0.181 1.00 0.00 H HETATM 131 H63 UNL 1 8.997 0.301 1.074 1.00 0.00 H HETATM 132 H64 UNL 1 8.614 0.131 3.384 1.00 0.00 H HETATM 133 H65 UNL 1 6.508 -2.071 2.645 1.00 0.00 H HETATM 134 H66 UNL 1 7.486 -1.895 4.085 1.00 0.00 H HETATM 135 H67 UNL 1 6.392 0.148 4.826 1.00 0.00 H HETATM 136 H68 UNL 1 4.121 0.422 4.313 1.00 0.00 H HETATM 137 H69 UNL 1 3.827 -0.329 1.729 1.00 0.00 H HETATM 138 H70 UNL 1 4.738 -1.752 2.171 1.00 0.00 H HETATM 139 H71 UNL 1 3.140 -2.526 3.865 1.00 0.00 H HETATM 140 H72 UNL 1 0.825 -2.139 3.161 1.00 0.00 H HETATM 141 H73 UNL 1 2.065 0.104 1.341 1.00 0.00 H HETATM 142 H74 UNL 1 0.685 -1.047 0.979 1.00 0.00 H HETATM 143 H75 UNL 1 0.084 1.218 1.652 1.00 0.00 H HETATM 144 H76 UNL 1 -0.600 -0.076 2.759 1.00 0.00 H HETATM 145 H77 UNL 1 1.384 0.257 4.265 1.00 0.00 H HETATM 146 H78 UNL 1 1.919 1.647 3.189 1.00 0.00 H HETATM 147 H79 UNL 1 -0.009 2.901 3.639 1.00 0.00 H HETATM 148 H80 UNL 1 0.814 2.490 5.156 1.00 0.00 H HETATM 149 H81 UNL 1 -1.031 0.380 4.958 1.00 0.00 H HETATM 150 H82 UNL 1 -1.952 1.753 4.335 1.00 0.00 H HETATM 151 H83 UNL 1 -1.206 1.914 5.949 1.00 0.00 H CONECT 1 2 69 70 71 CONECT 2 3 72 73 CONECT 3 4 4 74 CONECT 4 5 75 CONECT 5 6 76 77 CONECT 6 7 8 78 CONECT 7 8 CONECT 8 9 79 CONECT 9 10 80 81 CONECT 10 11 11 82 CONECT 11 12 83 CONECT 12 13 84 85 CONECT 13 14 14 86 CONECT 14 15 87 CONECT 15 16 88 89 CONECT 16 17 17 90 CONECT 17 18 91 CONECT 18 19 92 93 CONECT 19 20 20 94 CONECT 20 21 95 CONECT 21 22 96 97 CONECT 22 23 98 99 CONECT 23 24 24 25 CONECT 25 26 CONECT 26 27 100 101 CONECT 27 28 45 102 CONECT 28 29 103 104 CONECT 29 30 CONECT 30 31 31 32 33 CONECT 32 105 CONECT 33 34 CONECT 34 35 43 106 CONECT 35 36 37 107 CONECT 36 108 CONECT 37 38 39 109 CONECT 38 110 CONECT 39 40 41 111 CONECT 40 112 CONECT 41 42 43 113 CONECT 42 114 CONECT 43 44 115 CONECT 44 116 CONECT 45 46 CONECT 46 47 47 48 CONECT 48 49 117 118 CONECT 49 50 119 120 CONECT 50 51 121 122 CONECT 51 52 123 124 CONECT 52 53 125 126 CONECT 53 54 54 127 CONECT 54 55 128 CONECT 55 56 129 130 CONECT 56 57 57 131 CONECT 57 58 132 CONECT 58 59 133 134 CONECT 59 60 60 135 CONECT 60 61 136 CONECT 61 62 137 138 CONECT 62 63 63 139 CONECT 63 64 140 CONECT 64 65 141 142 CONECT 65 66 143 144 CONECT 66 67 145 146 CONECT 67 68 147 148 CONECT 68 149 150 151 END