COMPND HMDB0009991 HETATM 1 C1 UNL 1 4.057 -1.387 7.012 1.00 0.00 C HETATM 2 C2 UNL 1 2.685 -1.871 6.530 1.00 0.00 C HETATM 3 C3 UNL 1 2.647 -1.931 5.038 1.00 0.00 C HETATM 4 C4 UNL 1 1.323 -2.396 4.477 1.00 0.00 C HETATM 5 C5 UNL 1 1.429 -2.397 2.939 1.00 0.00 C HETATM 6 C6 UNL 1 0.156 -2.841 2.382 1.00 0.00 C HETATM 7 C7 UNL 1 -0.003 -3.886 1.622 1.00 0.00 C HETATM 8 C8 UNL 1 1.116 -4.775 1.226 1.00 0.00 C HETATM 9 C9 UNL 1 0.820 -6.158 1.681 1.00 0.00 C HETATM 10 C10 UNL 1 0.737 -7.168 0.859 1.00 0.00 C HETATM 11 C11 UNL 1 0.923 -7.057 -0.608 1.00 0.00 C HETATM 12 C12 UNL 1 2.127 -7.907 -0.941 1.00 0.00 C HETATM 13 C13 UNL 1 2.537 -7.922 -2.372 1.00 0.00 C HETATM 14 C14 UNL 1 2.837 -6.500 -2.873 1.00 0.00 C HETATM 15 C15 UNL 1 3.378 -6.506 -4.267 1.00 0.00 C HETATM 16 C16 UNL 1 3.605 -5.224 -4.939 1.00 0.00 C HETATM 17 C17 UNL 1 4.435 -4.163 -4.332 1.00 0.00 C HETATM 18 C18 UNL 1 3.853 -3.550 -3.096 1.00 0.00 C HETATM 19 O1 UNL 1 4.366 -3.776 -1.990 1.00 0.00 O HETATM 20 O2 UNL 1 2.748 -2.744 -3.238 1.00 0.00 O HETATM 21 C19 UNL 1 2.103 -2.130 -2.163 1.00 0.00 C HETATM 22 C20 UNL 1 0.973 -1.258 -2.654 1.00 0.00 C HETATM 23 C21 UNL 1 1.672 -0.149 -3.487 1.00 0.00 C HETATM 24 O3 UNL 1 2.432 -0.764 -4.479 1.00 0.00 O HETATM 25 P1 UNL 1 3.239 0.351 -5.441 1.00 0.00 P HETATM 26 O4 UNL 1 2.755 1.760 -5.086 1.00 0.00 O HETATM 27 O5 UNL 1 4.908 0.354 -5.130 1.00 0.00 O HETATM 28 O6 UNL 1 2.998 0.144 -7.077 1.00 0.00 O HETATM 29 C22 UNL 1 1.723 0.506 -7.461 1.00 0.00 C HETATM 30 C23 UNL 1 1.761 1.693 -8.403 1.00 0.00 C HETATM 31 O7 UNL 1 2.695 2.639 -8.067 1.00 0.00 O HETATM 32 C24 UNL 1 0.343 2.223 -8.471 1.00 0.00 C HETATM 33 O8 UNL 1 0.303 3.386 -7.724 1.00 0.00 O HETATM 34 C25 UNL 1 -0.659 1.272 -7.898 1.00 0.00 C HETATM 35 O9 UNL 1 -1.924 1.623 -8.404 1.00 0.00 O HETATM 36 C26 UNL 1 -0.430 -0.158 -8.399 1.00 0.00 C HETATM 37 O10 UNL 1 -0.738 -0.134 -9.755 1.00 0.00 O HETATM 38 P2 UNL 1 -2.081 -1.103 -10.094 1.00 0.00 P HETATM 39 O11 UNL 1 -1.775 -2.573 -9.996 1.00 0.00 O HETATM 40 O12 UNL 1 -3.308 -0.666 -9.003 1.00 0.00 O HETATM 41 O13 UNL 1 -2.563 -0.790 -11.689 1.00 0.00 O HETATM 42 C27 UNL 1 0.984 -0.601 -8.162 1.00 0.00 C HETATM 43 O14 UNL 1 1.582 -0.800 -9.423 1.00 0.00 O HETATM 44 O15 UNL 1 0.213 -0.629 -1.652 1.00 0.00 O HETATM 45 C28 UNL 1 -1.188 -0.663 -1.700 1.00 0.00 C HETATM 46 O16 UNL 1 -1.655 -1.303 -2.706 1.00 0.00 O HETATM 47 C29 UNL 1 -2.101 -0.047 -0.733 1.00 0.00 C HETATM 48 C30 UNL 1 -3.513 -0.222 -1.240 1.00 0.00 C HETATM 49 C31 UNL 1 -4.553 0.386 -0.340 1.00 0.00 C HETATM 50 C32 UNL 1 -4.549 -0.210 0.991 1.00 0.00 C HETATM 51 C33 UNL 1 -4.347 0.443 2.100 1.00 0.00 C HETATM 52 C34 UNL 1 -4.085 1.934 2.091 1.00 0.00 C HETATM 53 C35 UNL 1 -5.226 2.542 2.829 1.00 0.00 C HETATM 54 C36 UNL 1 -5.105 3.255 3.911 1.00 0.00 C HETATM 55 C37 UNL 1 -3.821 3.585 4.591 1.00 0.00 C HETATM 56 C38 UNL 1 -3.752 5.057 4.632 1.00 0.00 C HETATM 57 C39 UNL 1 -3.722 5.710 5.766 1.00 0.00 C HETATM 58 C40 UNL 1 -3.758 5.028 7.048 1.00 0.00 C HETATM 59 C41 UNL 1 -2.483 5.383 7.831 1.00 0.00 C HETATM 60 C42 UNL 1 -2.395 6.851 8.096 1.00 0.00 C HETATM 61 C43 UNL 1 -1.130 7.192 8.894 1.00 0.00 C HETATM 62 C44 UNL 1 -1.066 8.682 9.156 1.00 0.00 C HETATM 63 C45 UNL 1 0.171 9.001 9.935 1.00 0.00 C HETATM 64 C46 UNL 1 0.304 10.475 10.237 1.00 0.00 C HETATM 65 C47 UNL 1 0.363 11.310 8.993 1.00 0.00 C HETATM 66 H1 UNL 1 4.275 -0.358 6.641 1.00 0.00 H HETATM 67 H2 UNL 1 4.814 -2.075 6.566 1.00 0.00 H HETATM 68 H3 UNL 1 4.132 -1.386 8.103 1.00 0.00 H HETATM 69 H4 UNL 1 1.933 -1.192 6.970 1.00 0.00 H HETATM 70 H5 UNL 1 2.572 -2.887 6.968 1.00 0.00 H HETATM 71 H6 UNL 1 3.412 -2.692 4.704 1.00 0.00 H HETATM 72 H7 UNL 1 2.981 -0.960 4.633 1.00 0.00 H HETATM 73 H8 UNL 1 0.499 -1.778 4.835 1.00 0.00 H HETATM 74 H9 UNL 1 1.173 -3.444 4.792 1.00 0.00 H HETATM 75 H10 UNL 1 2.327 -2.949 2.701 1.00 0.00 H HETATM 76 H11 UNL 1 1.538 -1.299 2.686 1.00 0.00 H HETATM 77 H12 UNL 1 -0.735 -2.244 2.627 1.00 0.00 H HETATM 78 H13 UNL 1 -0.983 -4.175 1.228 1.00 0.00 H HETATM 79 H14 UNL 1 2.083 -4.520 1.730 1.00 0.00 H HETATM 80 H15 UNL 1 1.243 -4.671 0.158 1.00 0.00 H HETATM 81 H16 UNL 1 0.668 -6.322 2.765 1.00 0.00 H HETATM 82 H17 UNL 1 0.510 -8.159 1.318 1.00 0.00 H HETATM 83 H18 UNL 1 0.942 -6.055 -0.981 1.00 0.00 H HETATM 84 H19 UNL 1 0.017 -7.605 -1.058 1.00 0.00 H HETATM 85 H20 UNL 1 1.859 -8.963 -0.662 1.00 0.00 H HETATM 86 H21 UNL 1 2.937 -7.617 -0.247 1.00 0.00 H HETATM 87 H22 UNL 1 3.498 -8.467 -2.442 1.00 0.00 H HETATM 88 H23 UNL 1 1.816 -8.439 -3.010 1.00 0.00 H HETATM 89 H24 UNL 1 3.681 -6.180 -2.215 1.00 0.00 H HETATM 90 H25 UNL 1 1.946 -5.904 -2.718 1.00 0.00 H HETATM 91 H26 UNL 1 2.705 -7.127 -4.953 1.00 0.00 H HETATM 92 H27 UNL 1 4.345 -7.091 -4.322 1.00 0.00 H HETATM 93 H28 UNL 1 2.637 -4.732 -5.276 1.00 0.00 H HETATM 94 H29 UNL 1 4.096 -5.443 -5.956 1.00 0.00 H HETATM 95 H30 UNL 1 5.476 -4.499 -4.103 1.00 0.00 H HETATM 96 H31 UNL 1 4.562 -3.350 -5.088 1.00 0.00 H HETATM 97 H32 UNL 1 1.733 -2.953 -1.503 1.00 0.00 H HETATM 98 H33 UNL 1 2.832 -1.556 -1.572 1.00 0.00 H HETATM 99 H34 UNL 1 0.332 -1.775 -3.387 1.00 0.00 H HETATM 100 H35 UNL 1 2.225 0.548 -2.859 1.00 0.00 H HETATM 101 H36 UNL 1 0.843 0.386 -3.994 1.00 0.00 H HETATM 102 H37 UNL 1 5.314 -0.522 -5.251 1.00 0.00 H HETATM 103 H38 UNL 1 1.192 0.830 -6.558 1.00 0.00 H HETATM 104 H39 UNL 1 1.997 1.290 -9.424 1.00 0.00 H HETATM 105 H40 UNL 1 2.945 3.129 -8.904 1.00 0.00 H HETATM 106 H41 UNL 1 0.035 2.469 -9.497 1.00 0.00 H HETATM 107 H42 UNL 1 1.202 3.769 -7.631 1.00 0.00 H HETATM 108 H43 UNL 1 -0.764 1.322 -6.798 1.00 0.00 H HETATM 109 H44 UNL 1 -1.861 2.421 -8.982 1.00 0.00 H HETATM 110 H45 UNL 1 -1.113 -0.849 -7.846 1.00 0.00 H HETATM 111 H46 UNL 1 -3.244 -1.276 -8.224 1.00 0.00 H HETATM 112 H47 UNL 1 -1.783 -0.929 -12.280 1.00 0.00 H HETATM 113 H48 UNL 1 1.044 -1.565 -7.612 1.00 0.00 H HETATM 114 H49 UNL 1 2.316 -1.466 -9.379 1.00 0.00 H HETATM 115 H50 UNL 1 -1.929 1.034 -0.579 1.00 0.00 H HETATM 116 H51 UNL 1 -2.087 -0.553 0.275 1.00 0.00 H HETATM 117 H52 UNL 1 -3.652 0.258 -2.252 1.00 0.00 H HETATM 118 H53 UNL 1 -3.702 -1.315 -1.330 1.00 0.00 H HETATM 119 H54 UNL 1 -5.550 0.073 -0.847 1.00 0.00 H HETATM 120 H55 UNL 1 -4.552 1.472 -0.416 1.00 0.00 H HETATM 121 H56 UNL 1 -4.730 -1.294 1.100 1.00 0.00 H HETATM 122 H57 UNL 1 -4.360 -0.071 3.076 1.00 0.00 H HETATM 123 H58 UNL 1 -3.123 2.006 2.655 1.00 0.00 H HETATM 124 H59 UNL 1 -3.987 2.361 1.102 1.00 0.00 H HETATM 125 H60 UNL 1 -6.255 2.376 2.427 1.00 0.00 H HETATM 126 H61 UNL 1 -6.058 3.640 4.349 1.00 0.00 H HETATM 127 H62 UNL 1 -2.989 3.284 3.904 1.00 0.00 H HETATM 128 H63 UNL 1 -3.794 3.045 5.527 1.00 0.00 H HETATM 129 H64 UNL 1 -3.722 5.571 3.682 1.00 0.00 H HETATM 130 H65 UNL 1 -3.672 6.821 5.791 1.00 0.00 H HETATM 131 H66 UNL 1 -3.832 3.958 7.095 1.00 0.00 H HETATM 132 H67 UNL 1 -4.575 5.490 7.721 1.00 0.00 H HETATM 133 H68 UNL 1 -1.586 4.962 7.357 1.00 0.00 H HETATM 134 H69 UNL 1 -2.600 4.856 8.809 1.00 0.00 H HETATM 135 H70 UNL 1 -2.429 7.497 7.215 1.00 0.00 H HETATM 136 H71 UNL 1 -3.251 7.170 8.760 1.00 0.00 H HETATM 137 H72 UNL 1 -1.150 6.703 9.886 1.00 0.00 H HETATM 138 H73 UNL 1 -0.281 6.830 8.315 1.00 0.00 H HETATM 139 H74 UNL 1 -1.937 8.897 9.843 1.00 0.00 H HETATM 140 H75 UNL 1 -1.199 9.301 8.271 1.00 0.00 H HETATM 141 H76 UNL 1 1.075 8.715 9.368 1.00 0.00 H HETATM 142 H77 UNL 1 0.220 8.464 10.903 1.00 0.00 H HETATM 143 H78 UNL 1 1.212 10.670 10.841 1.00 0.00 H HETATM 144 H79 UNL 1 -0.557 10.862 10.845 1.00 0.00 H HETATM 145 H80 UNL 1 -0.635 11.351 8.501 1.00 0.00 H HETATM 146 H81 UNL 1 1.116 10.957 8.266 1.00 0.00 H HETATM 147 H82 UNL 1 0.601 12.362 9.299 1.00 0.00 H CONECT 1 2 66 67 68 CONECT 2 3 69 70 CONECT 3 4 71 72 CONECT 4 5 73 74 CONECT 5 6 75 76 CONECT 6 7 7 77 CONECT 7 8 78 CONECT 8 9 79 80 CONECT 9 10 10 81 CONECT 10 11 82 CONECT 11 12 83 84 CONECT 12 13 85 86 CONECT 13 14 87 88 CONECT 14 15 89 90 CONECT 15 16 91 92 CONECT 16 17 93 94 CONECT 17 18 95 96 CONECT 18 19 19 20 CONECT 20 21 CONECT 21 22 97 98 CONECT 22 23 44 99 CONECT 23 24 100 101 CONECT 24 25 CONECT 25 26 26 27 28 CONECT 27 102 CONECT 28 29 CONECT 29 30 42 103 CONECT 30 31 32 104 CONECT 31 105 CONECT 32 33 34 106 CONECT 33 107 CONECT 34 35 36 108 CONECT 35 109 CONECT 36 37 42 110 CONECT 37 38 CONECT 38 39 39 40 41 CONECT 40 111 CONECT 41 112 CONECT 42 43 113 CONECT 43 114 CONECT 44 45 CONECT 45 46 46 47 CONECT 47 48 115 116 CONECT 48 49 117 118 CONECT 49 50 119 120 CONECT 50 51 51 121 CONECT 51 52 122 CONECT 52 53 123 124 CONECT 53 54 54 125 CONECT 54 55 126 CONECT 55 56 127 128 CONECT 56 57 57 129 CONECT 57 58 130 CONECT 58 59 131 132 CONECT 59 60 133 134 CONECT 60 61 135 136 CONECT 61 62 137 138 CONECT 62 63 139 140 CONECT 63 64 141 142 CONECT 64 65 143 144 CONECT 65 145 146 147 END