COMPND HMDB0277462 HETATM 1 C1 UNL 1 -3.960 -1.448 -1.156 1.00 0.00 C HETATM 2 C2 UNL 1 -4.944 -1.877 -2.217 1.00 0.00 C HETATM 3 C3 UNL 1 -5.422 -0.688 -2.934 1.00 0.00 C HETATM 4 C4 UNL 1 -5.347 -0.495 -4.203 1.00 0.00 C HETATM 5 C5 UNL 1 -4.777 -1.396 -5.188 1.00 0.00 C HETATM 6 C6 UNL 1 -3.746 -0.889 -6.095 1.00 0.00 C HETATM 7 O1 UNL 1 -4.271 0.210 -6.846 1.00 0.00 O HETATM 8 C7 UNL 1 -2.391 -0.593 -5.692 1.00 0.00 C HETATM 9 C8 UNL 1 -1.699 0.358 -6.350 1.00 0.00 C HETATM 10 C9 UNL 1 -0.346 0.773 -6.091 1.00 0.00 C HETATM 11 C10 UNL 1 0.190 1.737 -6.842 1.00 0.00 C HETATM 12 C11 UNL 1 1.540 2.301 -6.754 1.00 0.00 C HETATM 13 C12 UNL 1 2.408 1.758 -5.741 1.00 0.00 C HETATM 14 C13 UNL 1 3.035 2.410 -4.790 1.00 0.00 C HETATM 15 C14 UNL 1 2.920 3.903 -4.624 1.00 0.00 C HETATM 16 C15 UNL 1 2.424 4.128 -3.272 1.00 0.00 C HETATM 17 C16 UNL 1 3.043 4.849 -2.377 1.00 0.00 C HETATM 18 C17 UNL 1 4.283 5.538 -2.559 1.00 0.00 C HETATM 19 C18 UNL 1 5.475 5.235 -1.798 1.00 0.00 C HETATM 20 C19 UNL 1 5.737 4.325 -0.914 1.00 0.00 C HETATM 21 C20 UNL 1 4.784 3.320 -0.477 1.00 0.00 C HETATM 22 C21 UNL 1 4.488 3.349 1.048 1.00 0.00 C HETATM 23 C22 UNL 1 3.493 2.280 1.315 1.00 0.00 C HETATM 24 O2 UNL 1 2.829 1.898 0.292 1.00 0.00 O HETATM 25 O3 UNL 1 3.200 1.650 2.488 1.00 0.00 O HETATM 26 C23 UNL 1 2.197 0.600 2.481 1.00 0.00 C HETATM 27 C24 UNL 1 2.085 -0.046 3.853 1.00 0.00 C HETATM 28 C25 UNL 1 1.143 0.656 4.776 1.00 0.00 C HETATM 29 O4 UNL 1 0.784 -0.267 5.773 1.00 0.00 O HETATM 30 P1 UNL 1 -0.425 0.351 6.796 1.00 0.00 P HETATM 31 O5 UNL 1 -0.590 1.821 6.617 1.00 0.00 O HETATM 32 O6 UNL 1 -0.035 0.006 8.396 1.00 0.00 O HETATM 33 O7 UNL 1 -1.902 -0.441 6.429 1.00 0.00 O HETATM 34 C26 UNL 1 -2.301 -1.278 7.445 1.00 0.00 C HETATM 35 C27 UNL 1 -3.763 -1.245 7.756 1.00 0.00 C HETATM 36 O8 UNL 1 -3.995 -2.072 8.858 1.00 0.00 O HETATM 37 C28 UNL 1 -4.548 -1.749 6.605 1.00 0.00 C HETATM 38 O9 UNL 1 -5.290 -0.670 6.068 1.00 0.00 O HETATM 39 C29 UNL 1 -3.786 -2.348 5.473 1.00 0.00 C HETATM 40 O10 UNL 1 -4.687 -3.186 4.771 1.00 0.00 O HETATM 41 C30 UNL 1 -2.630 -3.201 5.877 1.00 0.00 C HETATM 42 O11 UNL 1 -1.689 -3.159 4.845 1.00 0.00 O HETATM 43 C31 UNL 1 -1.942 -2.723 7.130 1.00 0.00 C HETATM 44 O12 UNL 1 -0.557 -2.884 7.096 1.00 0.00 O HETATM 45 O13 UNL 1 3.281 -0.520 4.309 1.00 0.00 O HETATM 46 C32 UNL 1 3.675 -1.845 4.518 1.00 0.00 C HETATM 47 O14 UNL 1 2.813 -2.740 4.313 1.00 0.00 O HETATM 48 C33 UNL 1 5.058 -2.115 4.949 1.00 0.00 C HETATM 49 C34 UNL 1 5.765 -3.144 4.132 1.00 0.00 C HETATM 50 C35 UNL 1 5.878 -2.890 2.673 1.00 0.00 C HETATM 51 C36 UNL 1 4.647 -2.929 1.864 1.00 0.00 C HETATM 52 C37 UNL 1 4.882 -2.608 0.371 1.00 0.00 C HETATM 53 C38 UNL 1 3.493 -2.868 -0.286 1.00 0.00 C HETATM 54 C39 UNL 1 3.470 -2.407 -1.663 1.00 0.00 C HETATM 55 C40 UNL 1 2.595 -1.527 -2.167 1.00 0.00 C HETATM 56 C41 UNL 1 1.539 -0.977 -1.245 1.00 0.00 C HETATM 57 C42 UNL 1 0.198 -1.225 -1.814 1.00 0.00 C HETATM 58 C43 UNL 1 -0.700 -0.282 -1.945 1.00 0.00 C HETATM 59 C44 UNL 1 -0.528 1.134 -1.546 1.00 0.00 C HETATM 60 C45 UNL 1 -0.776 2.008 -2.702 1.00 0.00 C HETATM 61 C46 UNL 1 -1.713 2.922 -2.678 1.00 0.00 C HETATM 62 C47 UNL 1 -2.583 3.169 -1.537 1.00 0.00 C HETATM 63 C48 UNL 1 -4.043 2.934 -1.866 1.00 0.00 C HETATM 64 C49 UNL 1 -4.587 3.760 -2.968 1.00 0.00 C HETATM 65 C50 UNL 1 -4.512 5.253 -2.736 1.00 0.00 C HETATM 66 C51 UNL 1 -5.253 5.713 -1.522 1.00 0.00 C HETATM 67 H1 UNL 1 -3.737 -0.343 -1.254 1.00 0.00 H HETATM 68 H2 UNL 1 -4.459 -1.562 -0.162 1.00 0.00 H HETATM 69 H3 UNL 1 -3.063 -2.073 -1.124 1.00 0.00 H HETATM 70 H4 UNL 1 -4.451 -2.636 -2.864 1.00 0.00 H HETATM 71 H5 UNL 1 -5.804 -2.394 -1.695 1.00 0.00 H HETATM 72 H6 UNL 1 -5.889 0.093 -2.283 1.00 0.00 H HETATM 73 H7 UNL 1 -5.759 0.463 -4.598 1.00 0.00 H HETATM 74 H8 UNL 1 -5.656 -1.714 -5.871 1.00 0.00 H HETATM 75 H9 UNL 1 -4.482 -2.396 -4.767 1.00 0.00 H HETATM 76 H10 UNL 1 -3.639 -1.727 -6.907 1.00 0.00 H HETATM 77 H11 UNL 1 -4.093 1.010 -6.253 1.00 0.00 H HETATM 78 H12 UNL 1 -1.893 -1.090 -4.892 1.00 0.00 H HETATM 79 H13 UNL 1 -2.266 0.861 -7.161 1.00 0.00 H HETATM 80 H14 UNL 1 0.260 0.341 -5.316 1.00 0.00 H HETATM 81 H15 UNL 1 -0.509 2.146 -7.618 1.00 0.00 H HETATM 82 H16 UNL 1 1.992 2.105 -7.803 1.00 0.00 H HETATM 83 H17 UNL 1 1.392 3.411 -6.744 1.00 0.00 H HETATM 84 H18 UNL 1 2.568 0.666 -5.757 1.00 0.00 H HETATM 85 H19 UNL 1 3.662 1.852 -4.101 1.00 0.00 H HETATM 86 H20 UNL 1 2.284 4.344 -5.409 1.00 0.00 H HETATM 87 H21 UNL 1 3.933 4.352 -4.832 1.00 0.00 H HETATM 88 H22 UNL 1 1.464 3.641 -3.016 1.00 0.00 H HETATM 89 H23 UNL 1 2.531 4.944 -1.395 1.00 0.00 H HETATM 90 H24 UNL 1 4.554 5.668 -3.674 1.00 0.00 H HETATM 91 H25 UNL 1 4.120 6.690 -2.335 1.00 0.00 H HETATM 92 H26 UNL 1 6.364 5.925 -2.002 1.00 0.00 H HETATM 93 H27 UNL 1 6.762 4.282 -0.434 1.00 0.00 H HETATM 94 H28 UNL 1 5.415 2.324 -0.515 1.00 0.00 H HETATM 95 H29 UNL 1 3.892 3.140 -1.049 1.00 0.00 H HETATM 96 H30 UNL 1 4.145 4.361 1.319 1.00 0.00 H HETATM 97 H31 UNL 1 5.448 3.169 1.568 1.00 0.00 H HETATM 98 H32 UNL 1 1.242 1.109 2.280 1.00 0.00 H HETATM 99 H33 UNL 1 2.512 -0.121 1.711 1.00 0.00 H HETATM 100 H34 UNL 1 1.482 -1.024 3.601 1.00 0.00 H HETATM 101 H35 UNL 1 1.580 1.569 5.246 1.00 0.00 H HETATM 102 H36 UNL 1 0.217 0.878 4.203 1.00 0.00 H HETATM 103 H37 UNL 1 0.721 -0.636 8.485 1.00 0.00 H HETATM 104 H38 UNL 1 -1.730 -1.063 8.397 1.00 0.00 H HETATM 105 H39 UNL 1 -4.035 -0.184 7.992 1.00 0.00 H HETATM 106 H40 UNL 1 -4.258 -2.974 8.505 1.00 0.00 H HETATM 107 H41 UNL 1 -5.350 -2.448 6.984 1.00 0.00 H HETATM 108 H42 UNL 1 -5.397 -0.796 5.096 1.00 0.00 H HETATM 109 H43 UNL 1 -3.465 -1.605 4.717 1.00 0.00 H HETATM 110 H44 UNL 1 -4.338 -3.481 3.919 1.00 0.00 H HETATM 111 H45 UNL 1 -2.947 -4.264 5.947 1.00 0.00 H HETATM 112 H46 UNL 1 -1.468 -4.050 4.482 1.00 0.00 H HETATM 113 H47 UNL 1 -2.327 -3.333 7.971 1.00 0.00 H HETATM 114 H48 UNL 1 -0.291 -2.966 6.155 1.00 0.00 H HETATM 115 H49 UNL 1 5.652 -1.169 4.886 1.00 0.00 H HETATM 116 H50 UNL 1 5.027 -2.428 6.041 1.00 0.00 H HETATM 117 H51 UNL 1 5.269 -4.162 4.292 1.00 0.00 H HETATM 118 H52 UNL 1 6.769 -3.299 4.613 1.00 0.00 H HETATM 119 H53 UNL 1 6.449 -1.936 2.512 1.00 0.00 H HETATM 120 H54 UNL 1 6.571 -3.684 2.247 1.00 0.00 H HETATM 121 H55 UNL 1 4.048 -3.846 1.925 1.00 0.00 H HETATM 122 H56 UNL 1 3.925 -2.083 2.164 1.00 0.00 H HETATM 123 H57 UNL 1 5.597 -3.313 -0.072 1.00 0.00 H HETATM 124 H58 UNL 1 5.201 -1.574 0.224 1.00 0.00 H HETATM 125 H59 UNL 1 3.461 -4.007 -0.291 1.00 0.00 H HETATM 126 H60 UNL 1 2.759 -2.565 0.426 1.00 0.00 H HETATM 127 H61 UNL 1 4.203 -2.789 -2.369 1.00 0.00 H HETATM 128 H62 UNL 1 2.611 -1.200 -3.187 1.00 0.00 H HETATM 129 H63 UNL 1 1.746 0.059 -1.017 1.00 0.00 H HETATM 130 H64 UNL 1 1.573 -1.542 -0.305 1.00 0.00 H HETATM 131 H65 UNL 1 -0.103 -2.235 -2.152 1.00 0.00 H HETATM 132 H66 UNL 1 -1.681 -0.535 -2.423 1.00 0.00 H HETATM 133 H67 UNL 1 -1.247 1.272 -0.696 1.00 0.00 H HETATM 134 H68 UNL 1 0.504 1.306 -1.208 1.00 0.00 H HETATM 135 H69 UNL 1 -0.184 1.944 -3.604 1.00 0.00 H HETATM 136 H70 UNL 1 -1.888 3.580 -3.564 1.00 0.00 H HETATM 137 H71 UNL 1 -2.529 4.294 -1.350 1.00 0.00 H HETATM 138 H72 UNL 1 -2.330 2.740 -0.576 1.00 0.00 H HETATM 139 H73 UNL 1 -4.175 1.865 -2.122 1.00 0.00 H HETATM 140 H74 UNL 1 -4.656 3.100 -0.949 1.00 0.00 H HETATM 141 H75 UNL 1 -5.683 3.522 -3.042 1.00 0.00 H HETATM 142 H76 UNL 1 -4.136 3.506 -3.951 1.00 0.00 H HETATM 143 H77 UNL 1 -3.448 5.544 -2.644 1.00 0.00 H HETATM 144 H78 UNL 1 -4.965 5.740 -3.648 1.00 0.00 H HETATM 145 H79 UNL 1 -4.870 6.748 -1.275 1.00 0.00 H HETATM 146 H80 UNL 1 -4.958 5.087 -0.650 1.00 0.00 H HETATM 147 H81 UNL 1 -6.348 5.756 -1.642 1.00 0.00 H CONECT 1 2 67 68 69 CONECT 2 3 70 71 CONECT 3 4 4 72 CONECT 4 5 73 CONECT 5 6 74 75 CONECT 6 7 8 76 CONECT 7 77 CONECT 8 9 9 78 CONECT 9 10 79 CONECT 10 11 11 80 CONECT 11 12 81 CONECT 12 13 82 83 CONECT 13 14 14 84 CONECT 14 15 85 CONECT 15 16 86 87 CONECT 16 17 17 88 CONECT 17 18 89 CONECT 18 19 90 91 CONECT 19 20 20 92 CONECT 20 21 93 CONECT 21 22 94 95 CONECT 22 23 96 97 CONECT 23 24 24 25 CONECT 25 26 CONECT 26 27 98 99 CONECT 27 28 45 100 CONECT 28 29 101 102 CONECT 29 30 CONECT 30 31 31 32 33 CONECT 32 103 CONECT 33 34 CONECT 34 35 43 104 CONECT 35 36 37 105 CONECT 36 106 CONECT 37 38 39 107 CONECT 38 108 CONECT 39 40 41 109 CONECT 40 110 CONECT 41 42 43 111 CONECT 42 112 CONECT 43 44 113 CONECT 44 114 CONECT 45 46 CONECT 46 47 47 48 CONECT 48 49 115 116 CONECT 49 50 117 118 CONECT 50 51 119 120 CONECT 51 52 121 122 CONECT 52 53 123 124 CONECT 53 54 125 126 CONECT 54 55 55 127 CONECT 55 56 128 CONECT 56 57 129 130 CONECT 57 58 58 131 CONECT 58 59 132 CONECT 59 60 133 134 CONECT 60 61 61 135 CONECT 61 62 136 CONECT 62 63 137 138 CONECT 63 64 139 140 CONECT 64 65 141 142 CONECT 65 66 143 144 CONECT 66 145 146 147 END