COMPND HMDB0038301 HETATM 1 C1 UNL 1 -7.736 -4.172 -4.223 1.00 0.00 C HETATM 2 O1 UNL 1 -7.925 -5.117 -3.167 1.00 0.00 O HETATM 3 C2 UNL 1 -7.794 -4.720 -1.839 1.00 0.00 C HETATM 4 C3 UNL 1 -7.494 -3.434 -1.460 1.00 0.00 C HETATM 5 C4 UNL 1 -7.371 -3.094 -0.127 1.00 0.00 C HETATM 6 C5 UNL 1 -7.087 -1.726 0.277 1.00 0.00 C HETATM 7 C6 UNL 1 -6.852 -1.394 1.513 1.00 0.00 C HETATM 8 C7 UNL 1 -6.575 -0.044 1.909 1.00 0.00 C HETATM 9 O2 UNL 1 -6.323 0.294 3.100 1.00 0.00 O HETATM 10 O3 UNL 1 -6.576 0.984 0.970 1.00 0.00 O HETATM 11 C8 UNL 1 -6.308 2.308 1.375 1.00 0.00 C HETATM 12 C9 UNL 1 -5.256 2.931 0.546 1.00 0.00 C HETATM 13 O4 UNL 1 -4.111 3.162 1.251 1.00 0.00 O HETATM 14 C10 UNL 1 -2.914 3.015 0.576 1.00 0.00 C HETATM 15 C11 UNL 1 -2.360 1.594 0.992 1.00 0.00 C HETATM 16 O5 UNL 1 -1.045 1.430 0.778 1.00 0.00 O HETATM 17 C12 UNL 1 -0.113 1.510 -0.192 1.00 0.00 C HETATM 18 C13 UNL 1 -0.269 2.059 -1.430 1.00 0.00 C HETATM 19 C14 UNL 1 0.720 2.136 -2.432 1.00 0.00 C HETATM 20 O6 UNL 1 0.411 2.728 -3.623 1.00 0.00 O HETATM 21 C15 UNL 1 1.952 1.606 -2.141 1.00 0.00 C HETATM 22 C16 UNL 1 2.971 1.637 -3.061 1.00 0.00 C HETATM 23 O7 UNL 1 2.866 2.145 -4.209 1.00 0.00 O HETATM 24 C17 UNL 1 4.188 1.066 -2.686 1.00 0.00 C HETATM 25 C18 UNL 1 4.373 0.495 -1.456 1.00 0.00 C HETATM 26 C19 UNL 1 5.652 -0.128 -1.063 1.00 0.00 C HETATM 27 C20 UNL 1 6.789 -0.056 -1.818 1.00 0.00 C HETATM 28 C21 UNL 1 7.950 -0.745 -1.482 1.00 0.00 C HETATM 29 C22 UNL 1 7.999 -1.550 -0.337 1.00 0.00 C HETATM 30 O8 UNL 1 9.189 -2.199 -0.089 1.00 0.00 O HETATM 31 C23 UNL 1 9.471 -3.124 0.907 1.00 0.00 C HETATM 32 O9 UNL 1 9.782 -4.377 0.383 1.00 0.00 O HETATM 33 C24 UNL 1 11.027 -4.504 -0.160 1.00 0.00 C HETATM 34 C25 UNL 1 11.210 -3.945 -1.508 1.00 0.00 C HETATM 35 O10 UNL 1 10.264 -3.421 -2.118 1.00 0.00 O HETATM 36 O11 UNL 1 12.458 -4.008 -2.103 1.00 0.00 O HETATM 37 C26 UNL 1 12.149 -4.123 0.788 1.00 0.00 C HETATM 38 O12 UNL 1 12.201 -5.056 1.797 1.00 0.00 O HETATM 39 C27 UNL 1 11.917 -2.741 1.294 1.00 0.00 C HETATM 40 O13 UNL 1 12.182 -1.773 0.320 1.00 0.00 O HETATM 41 C28 UNL 1 10.520 -2.616 1.842 1.00 0.00 C HETATM 42 O14 UNL 1 10.279 -1.261 2.090 1.00 0.00 O HETATM 43 C29 UNL 1 6.866 -1.619 0.420 1.00 0.00 C HETATM 44 C30 UNL 1 5.714 -0.927 0.074 1.00 0.00 C HETATM 45 O15 UNL 1 3.354 0.515 -0.642 1.00 0.00 O HETATM 46 C31 UNL 1 2.171 1.027 -0.897 1.00 0.00 C HETATM 47 C32 UNL 1 1.170 0.980 0.055 1.00 0.00 C HETATM 48 O16 UNL 1 -2.645 1.452 2.341 1.00 0.00 O HETATM 49 C33 UNL 1 -2.489 2.594 3.093 1.00 0.00 C HETATM 50 C34 UNL 1 -1.762 2.173 4.353 1.00 0.00 C HETATM 51 O17 UNL 1 -1.411 3.015 5.221 1.00 0.00 O HETATM 52 O18 UNL 1 -1.466 0.846 4.583 1.00 0.00 O HETATM 53 C35 UNL 1 -1.770 3.751 2.544 1.00 0.00 C HETATM 54 O19 UNL 1 -0.382 3.760 2.795 1.00 0.00 O HETATM 55 C36 UNL 1 -1.952 4.029 1.054 1.00 0.00 C HETATM 56 O20 UNL 1 -2.459 5.301 0.884 1.00 0.00 O HETATM 57 O21 UNL 1 -5.759 4.190 -0.003 1.00 0.00 O HETATM 58 C37 UNL 1 -6.794 3.767 -0.866 1.00 0.00 C HETATM 59 C38 UNL 1 -7.067 4.802 -1.856 1.00 0.00 C HETATM 60 O22 UNL 1 -7.988 4.687 -2.733 1.00 0.00 O HETATM 61 O23 UNL 1 -6.326 5.981 -1.895 1.00 0.00 O HETATM 62 C39 UNL 1 -7.999 3.322 -0.074 1.00 0.00 C HETATM 63 O24 UNL 1 -9.038 4.255 -0.119 1.00 0.00 O HETATM 64 C40 UNL 1 -7.556 3.186 1.346 1.00 0.00 C HETATM 65 O25 UNL 1 -7.077 4.470 1.727 1.00 0.00 O HETATM 66 C41 UNL 1 -7.551 -4.055 0.834 1.00 0.00 C HETATM 67 C42 UNL 1 -7.856 -5.357 0.426 1.00 0.00 C HETATM 68 C43 UNL 1 -7.980 -5.704 -0.881 1.00 0.00 C HETATM 69 O26 UNL 1 -8.283 -6.996 -1.291 1.00 0.00 O HETATM 70 H1 UNL 1 -8.293 -3.258 -3.940 1.00 0.00 H HETATM 71 H2 UNL 1 -8.117 -4.564 -5.166 1.00 0.00 H HETATM 72 H3 UNL 1 -6.641 -3.953 -4.334 1.00 0.00 H HETATM 73 H4 UNL 1 -7.349 -2.682 -2.234 1.00 0.00 H HETATM 74 H5 UNL 1 -7.075 -0.957 -0.517 1.00 0.00 H HETATM 75 H6 UNL 1 -6.857 -2.140 2.286 1.00 0.00 H HETATM 76 H7 UNL 1 -6.033 2.319 2.481 1.00 0.00 H HETATM 77 H8 UNL 1 -4.960 2.438 -0.405 1.00 0.00 H HETATM 78 H9 UNL 1 -3.069 2.935 -0.466 1.00 0.00 H HETATM 79 H10 UNL 1 -2.972 0.944 0.352 1.00 0.00 H HETATM 80 H11 UNL 1 -1.222 2.465 -1.689 1.00 0.00 H HETATM 81 H12 UNL 1 0.963 2.876 -4.392 1.00 0.00 H HETATM 82 H13 UNL 1 5.001 1.096 -3.418 1.00 0.00 H HETATM 83 H14 UNL 1 6.768 0.570 -2.717 1.00 0.00 H HETATM 84 H15 UNL 1 8.828 -0.661 -2.112 1.00 0.00 H HETATM 85 H16 UNL 1 8.566 -3.322 1.566 1.00 0.00 H HETATM 86 H17 UNL 1 11.176 -5.631 -0.300 1.00 0.00 H HETATM 87 H18 UNL 1 12.965 -3.171 -2.432 1.00 0.00 H HETATM 88 H19 UNL 1 13.097 -4.186 0.198 1.00 0.00 H HETATM 89 H20 UNL 1 13.118 -5.391 1.932 1.00 0.00 H HETATM 90 H21 UNL 1 12.606 -2.541 2.161 1.00 0.00 H HETATM 91 H22 UNL 1 12.851 -1.134 0.665 1.00 0.00 H HETATM 92 H23 UNL 1 10.485 -3.112 2.844 1.00 0.00 H HETATM 93 H24 UNL 1 11.100 -0.747 1.960 1.00 0.00 H HETATM 94 H25 UNL 1 6.877 -2.233 1.314 1.00 0.00 H HETATM 95 H26 UNL 1 4.801 -0.963 0.665 1.00 0.00 H HETATM 96 H27 UNL 1 1.366 0.528 1.018 1.00 0.00 H HETATM 97 H28 UNL 1 -3.483 2.959 3.491 1.00 0.00 H HETATM 98 H29 UNL 1 -0.488 0.545 4.566 1.00 0.00 H HETATM 99 H30 UNL 1 -2.128 4.677 3.101 1.00 0.00 H HETATM 100 H31 UNL 1 -0.061 4.670 2.541 1.00 0.00 H HETATM 101 H32 UNL 1 -0.998 3.964 0.527 1.00 0.00 H HETATM 102 H33 UNL 1 -2.088 5.940 1.543 1.00 0.00 H HETATM 103 H34 UNL 1 -6.353 2.896 -1.429 1.00 0.00 H HETATM 104 H35 UNL 1 -5.533 6.102 -2.514 1.00 0.00 H HETATM 105 H36 UNL 1 -8.422 2.354 -0.478 1.00 0.00 H HETATM 106 H37 UNL 1 -9.068 4.820 0.668 1.00 0.00 H HETATM 107 H38 UNL 1 -8.312 2.895 2.067 1.00 0.00 H HETATM 108 H39 UNL 1 -7.275 4.684 2.663 1.00 0.00 H HETATM 109 H40 UNL 1 -7.486 -3.898 1.906 1.00 0.00 H HETATM 110 H41 UNL 1 -7.993 -6.099 1.224 1.00 0.00 H HETATM 111 H42 UNL 1 -8.368 -7.247 -2.260 1.00 0.00 H CONECT 1 2 70 71 72 CONECT 2 3 CONECT 3 4 4 68 CONECT 4 5 73 CONECT 5 6 66 66 CONECT 6 7 7 74 CONECT 7 8 75 CONECT 8 9 9 10 CONECT 10 11 CONECT 11 12 64 76 CONECT 12 13 57 77 CONECT 13 14 CONECT 14 15 55 78 CONECT 15 16 48 79 CONECT 16 17 CONECT 17 18 18 47 CONECT 18 19 80 CONECT 19 20 21 21 CONECT 20 81 CONECT 21 22 46 CONECT 22 23 23 24 CONECT 24 25 25 82 CONECT 25 26 45 CONECT 26 27 27 44 CONECT 27 28 83 CONECT 28 29 29 84 CONECT 29 30 43 CONECT 30 31 CONECT 31 32 41 85 CONECT 32 33 CONECT 33 34 37 86 CONECT 34 35 35 36 CONECT 36 87 CONECT 37 38 39 88 CONECT 38 89 CONECT 39 40 41 90 CONECT 40 91 CONECT 41 42 92 CONECT 42 93 CONECT 43 44 44 94 CONECT 44 95 CONECT 45 46 CONECT 46 47 47 CONECT 47 96 CONECT 48 49 CONECT 49 50 53 97 CONECT 50 51 51 52 CONECT 52 98 CONECT 53 54 55 99 CONECT 54 100 CONECT 55 56 101 CONECT 56 102 CONECT 57 58 CONECT 58 59 62 103 CONECT 59 60 60 61 CONECT 61 104 CONECT 62 63 64 105 CONECT 63 106 CONECT 64 65 107 CONECT 65 108 CONECT 66 67 109 CONECT 67 68 68 110 CONECT 68 69 CONECT 69 111 END