COMPND HMDB0033070 HETATM 1 O1 UNL 1 -3.506 -1.876 -1.580 1.00 0.00 O HETATM 2 C1 UNL 1 -2.459 -1.348 -1.122 1.00 0.00 C HETATM 3 O2 UNL 1 -2.611 -0.119 -0.527 1.00 0.00 O HETATM 4 C2 UNL 1 -3.810 0.568 -0.393 1.00 0.00 C HETATM 5 C3 UNL 1 -3.709 1.809 -1.318 1.00 0.00 C HETATM 6 C4 UNL 1 -5.117 2.290 -1.463 1.00 0.00 C HETATM 7 C5 UNL 1 -5.599 2.621 -2.698 1.00 0.00 C HETATM 8 C6 UNL 1 -6.914 3.038 -2.768 1.00 0.00 C HETATM 9 O3 UNL 1 -7.456 3.388 -4.010 1.00 0.00 O HETATM 10 C7 UNL 1 -7.687 3.109 -1.627 1.00 0.00 C HETATM 11 O4 UNL 1 -8.987 3.527 -1.756 1.00 0.00 O HETATM 12 C8 UNL 1 -7.164 2.764 -0.381 1.00 0.00 C HETATM 13 C9 UNL 1 -5.864 2.349 -0.291 1.00 0.00 C HETATM 14 O5 UNL 1 -5.243 1.986 0.881 1.00 0.00 O HETATM 15 C10 UNL 1 -4.125 1.105 0.957 1.00 0.00 C HETATM 16 C11 UNL 1 -4.462 0.024 1.907 1.00 0.00 C HETATM 17 C12 UNL 1 -5.729 -0.514 1.955 1.00 0.00 C HETATM 18 C13 UNL 1 -5.987 -1.523 2.860 1.00 0.00 C HETATM 19 C14 UNL 1 -5.030 -2.006 3.710 1.00 0.00 C HETATM 20 O6 UNL 1 -5.314 -3.032 4.624 1.00 0.00 O HETATM 21 C15 UNL 1 -3.763 -1.483 3.676 1.00 0.00 C HETATM 22 O7 UNL 1 -2.792 -1.971 4.536 1.00 0.00 O HETATM 23 C16 UNL 1 -3.512 -0.478 2.773 1.00 0.00 C HETATM 24 C17 UNL 1 -1.218 -2.078 -1.268 1.00 0.00 C HETATM 25 C18 UNL 1 -1.249 -3.278 -1.943 1.00 0.00 C HETATM 26 C19 UNL 1 -0.196 -4.079 -2.378 1.00 0.00 C HETATM 27 O8 UNL 1 -0.526 -5.258 -3.009 1.00 0.00 O HETATM 28 C20 UNL 1 1.147 -3.825 -2.247 1.00 0.00 C HETATM 29 O9 UNL 1 1.954 -4.741 -2.580 1.00 0.00 O HETATM 30 C21 UNL 1 1.764 -2.669 -1.787 1.00 0.00 C HETATM 31 C22 UNL 1 3.107 -2.630 -2.088 1.00 0.00 C HETATM 32 O10 UNL 1 3.627 -3.713 -2.792 1.00 0.00 O HETATM 33 C23 UNL 1 3.888 -1.569 -1.706 1.00 0.00 C HETATM 34 O11 UNL 1 5.267 -1.540 -2.020 1.00 0.00 O HETATM 35 C24 UNL 1 3.304 -0.538 -1.015 1.00 0.00 C HETATM 36 C25 UNL 1 1.960 -0.505 -0.674 1.00 0.00 C HETATM 37 C26 UNL 1 1.364 0.639 0.030 1.00 0.00 C HETATM 38 O12 UNL 1 0.868 1.460 -1.070 1.00 0.00 O HETATM 39 C27 UNL 1 1.681 2.210 -1.871 1.00 0.00 C HETATM 40 C28 UNL 1 1.493 2.335 -3.234 1.00 0.00 C HETATM 41 C29 UNL 1 2.368 3.113 -3.958 1.00 0.00 C HETATM 42 O13 UNL 1 2.190 3.246 -5.319 1.00 0.00 O HETATM 43 C30 UNL 1 3.432 3.766 -3.318 1.00 0.00 C HETATM 44 C31 UNL 1 3.609 3.638 -1.979 1.00 0.00 C HETATM 45 O14 UNL 1 4.651 4.263 -1.277 1.00 0.00 O HETATM 46 C32 UNL 1 2.728 2.853 -1.244 1.00 0.00 C HETATM 47 C33 UNL 1 2.861 2.691 0.213 1.00 0.00 C HETATM 48 C34 UNL 1 2.360 1.468 0.831 1.00 0.00 C HETATM 49 O15 UNL 1 3.410 0.665 1.307 1.00 0.00 O HETATM 50 C35 UNL 1 3.662 0.388 2.617 1.00 0.00 C HETATM 51 O16 UNL 1 2.927 0.865 3.514 1.00 0.00 O HETATM 52 C36 UNL 1 4.779 -0.467 3.037 1.00 0.00 C HETATM 53 C37 UNL 1 5.614 -1.009 2.062 1.00 0.00 C HETATM 54 C38 UNL 1 6.673 -1.818 2.368 1.00 0.00 C HETATM 55 O17 UNL 1 7.434 -2.298 1.318 1.00 0.00 O HETATM 56 C39 UNL 1 6.942 -2.119 3.682 1.00 0.00 C HETATM 57 O18 UNL 1 8.007 -2.932 4.004 1.00 0.00 O HETATM 58 C40 UNL 1 6.130 -1.593 4.667 1.00 0.00 C HETATM 59 O19 UNL 1 6.366 -1.871 5.993 1.00 0.00 O HETATM 60 C41 UNL 1 5.047 -0.767 4.350 1.00 0.00 C HETATM 61 C42 UNL 1 1.209 -1.589 -1.076 1.00 0.00 C HETATM 62 C43 UNL 1 -0.118 -1.486 -0.682 1.00 0.00 C HETATM 63 H1 UNL 1 -4.695 0.031 -0.789 1.00 0.00 H HETATM 64 H2 UNL 1 -3.254 1.495 -2.272 1.00 0.00 H HETATM 65 H3 UNL 1 -3.144 2.621 -0.835 1.00 0.00 H HETATM 66 H4 UNL 1 -4.981 2.562 -3.590 1.00 0.00 H HETATM 67 H5 UNL 1 -8.411 3.694 -4.090 1.00 0.00 H HETATM 68 H6 UNL 1 -9.595 3.595 -0.956 1.00 0.00 H HETATM 69 H7 UNL 1 -7.759 2.814 0.528 1.00 0.00 H HETATM 70 H8 UNL 1 -3.246 1.687 1.367 1.00 0.00 H HETATM 71 H9 UNL 1 -6.535 -0.168 1.301 1.00 0.00 H HETATM 72 H10 UNL 1 -6.995 -1.947 2.899 1.00 0.00 H HETATM 73 H11 UNL 1 -4.621 -3.393 5.255 1.00 0.00 H HETATM 74 H12 UNL 1 -1.867 -1.567 4.489 1.00 0.00 H HETATM 75 H13 UNL 1 -2.497 -0.080 2.765 1.00 0.00 H HETATM 76 H14 UNL 1 -2.234 -3.645 -2.164 1.00 0.00 H HETATM 77 H15 UNL 1 -1.472 -5.560 -3.167 1.00 0.00 H HETATM 78 H16 UNL 1 4.623 -3.683 -3.015 1.00 0.00 H HETATM 79 H17 UNL 1 5.783 -0.729 -1.714 1.00 0.00 H HETATM 80 H18 UNL 1 3.912 0.298 -0.742 1.00 0.00 H HETATM 81 H19 UNL 1 0.450 0.489 0.607 1.00 0.00 H HETATM 82 H20 UNL 1 0.657 1.820 -3.725 1.00 0.00 H HETATM 83 H21 UNL 1 1.454 2.803 -5.809 1.00 0.00 H HETATM 84 H22 UNL 1 4.112 4.379 -3.905 1.00 0.00 H HETATM 85 H23 UNL 1 5.286 4.833 -1.836 1.00 0.00 H HETATM 86 H24 UNL 1 2.377 3.601 0.699 1.00 0.00 H HETATM 87 H25 UNL 1 3.959 2.794 0.443 1.00 0.00 H HETATM 88 H26 UNL 1 1.831 1.809 1.799 1.00 0.00 H HETATM 89 H27 UNL 1 5.395 -0.765 1.036 1.00 0.00 H HETATM 90 H28 UNL 1 8.227 -2.896 1.451 1.00 0.00 H HETATM 91 H29 UNL 1 8.299 -3.221 4.910 1.00 0.00 H HETATM 92 H30 UNL 1 7.093 -2.441 6.357 1.00 0.00 H HETATM 93 H31 UNL 1 4.437 -0.375 5.126 1.00 0.00 H HETATM 94 H32 UNL 1 -0.265 -0.889 0.174 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 24 CONECT 3 4 CONECT 4 5 15 63 CONECT 5 6 64 65 CONECT 6 7 7 13 CONECT 7 8 66 CONECT 8 9 10 10 CONECT 9 67 CONECT 10 11 12 CONECT 11 68 CONECT 12 13 13 69 CONECT 13 14 CONECT 14 15 CONECT 15 16 70 CONECT 16 17 17 23 CONECT 17 18 71 CONECT 18 19 19 72 CONECT 19 20 21 CONECT 20 73 CONECT 21 22 23 23 CONECT 22 74 CONECT 23 75 CONECT 24 25 62 62 CONECT 25 26 26 76 CONECT 26 27 28 CONECT 27 77 CONECT 28 29 29 30 CONECT 30 31 31 61 CONECT 31 32 33 CONECT 32 78 CONECT 33 34 35 35 CONECT 34 79 CONECT 35 36 80 CONECT 36 37 61 61 CONECT 37 38 48 81 CONECT 38 39 CONECT 39 40 40 46 CONECT 40 41 82 CONECT 41 42 43 43 CONECT 42 83 CONECT 43 44 84 CONECT 44 45 46 46 CONECT 45 85 CONECT 46 47 CONECT 47 48 86 87 CONECT 48 49 88 CONECT 49 50 CONECT 50 51 51 52 CONECT 52 53 53 60 CONECT 53 54 89 CONECT 54 55 56 56 CONECT 55 90 CONECT 56 57 58 CONECT 57 91 CONECT 58 59 60 60 CONECT 59 92 CONECT 60 93 CONECT 61 62 CONECT 62 94 END