COMPND HMDB0034317 HETATM 1 O1 UNL 1 2.418 -0.462 -3.849 1.00 0.00 O HETATM 2 C1 UNL 1 1.300 -0.906 -4.170 1.00 0.00 C HETATM 3 O2 UNL 1 1.146 -1.639 -5.313 1.00 0.00 O HETATM 4 C2 UNL 1 0.159 -0.637 -3.317 1.00 0.00 C HETATM 5 C3 UNL 1 -1.072 -1.112 -3.657 1.00 0.00 C HETATM 6 C4 UNL 1 -2.173 -0.852 -2.832 1.00 0.00 C HETATM 7 O3 UNL 1 -3.372 -1.377 -3.267 1.00 0.00 O HETATM 8 C5 UNL 1 -2.016 -0.119 -1.680 1.00 0.00 C HETATM 9 C6 UNL 1 -0.779 0.364 -1.327 1.00 0.00 C HETATM 10 C7 UNL 1 0.289 0.105 -2.138 1.00 0.00 C HETATM 11 C8 UNL 1 -0.594 1.116 -0.085 1.00 0.00 C HETATM 12 C9 UNL 1 0.537 0.703 0.783 1.00 0.00 C HETATM 13 C10 UNL 1 0.611 -0.717 1.106 1.00 0.00 C HETATM 14 C11 UNL 1 -0.558 -1.371 1.560 1.00 0.00 C HETATM 15 C12 UNL 1 -0.493 -2.712 1.806 1.00 0.00 C HETATM 16 C13 UNL 1 -1.735 -3.370 2.280 1.00 0.00 C HETATM 17 O4 UNL 1 -2.796 -2.725 2.452 1.00 0.00 O HETATM 18 O5 UNL 1 -1.743 -4.728 2.545 1.00 0.00 O HETATM 19 C14 UNL 1 0.643 -3.468 1.640 1.00 0.00 C HETATM 20 C15 UNL 1 1.765 -2.822 1.203 1.00 0.00 C HETATM 21 O6 UNL 1 2.980 -3.490 0.998 1.00 0.00 O HETATM 22 C16 UNL 1 1.763 -1.438 0.932 1.00 0.00 C HETATM 23 C17 UNL 1 3.025 -0.810 0.541 1.00 0.00 C HETATM 24 O7 UNL 1 4.068 -1.481 0.385 1.00 0.00 O HETATM 25 C18 UNL 1 2.964 0.657 0.350 1.00 0.00 C HETATM 26 C19 UNL 1 4.198 1.268 0.041 1.00 0.00 C HETATM 27 O8 UNL 1 5.300 0.466 -0.110 1.00 0.00 O HETATM 28 C20 UNL 1 6.598 0.813 -0.443 1.00 0.00 C HETATM 29 O9 UNL 1 7.118 -0.118 -1.319 1.00 0.00 O HETATM 30 C21 UNL 1 8.398 0.074 -1.740 1.00 0.00 C HETATM 31 C22 UNL 1 8.907 -1.310 -2.185 1.00 0.00 C HETATM 32 O10 UNL 1 8.831 -2.144 -1.067 1.00 0.00 O HETATM 33 C23 UNL 1 9.376 0.589 -0.747 1.00 0.00 C HETATM 34 O11 UNL 1 10.389 1.279 -1.449 1.00 0.00 O HETATM 35 C24 UNL 1 8.790 1.522 0.278 1.00 0.00 C HETATM 36 O12 UNL 1 9.672 1.774 1.296 1.00 0.00 O HETATM 37 C25 UNL 1 7.516 0.828 0.781 1.00 0.00 C HETATM 38 O13 UNL 1 7.022 1.600 1.798 1.00 0.00 O HETATM 39 C26 UNL 1 4.227 2.637 -0.089 1.00 0.00 C HETATM 40 C27 UNL 1 3.064 3.320 0.089 1.00 0.00 C HETATM 41 C28 UNL 1 1.868 2.732 0.388 1.00 0.00 C HETATM 42 C29 UNL 1 1.809 1.340 0.524 1.00 0.00 C HETATM 43 C30 UNL 1 -1.815 1.416 0.673 1.00 0.00 C HETATM 44 C31 UNL 1 -1.705 2.208 1.795 1.00 0.00 C HETATM 45 C32 UNL 1 -2.835 2.510 2.560 1.00 0.00 C HETATM 46 C33 UNL 1 -4.081 2.041 2.234 1.00 0.00 C HETATM 47 C34 UNL 1 -4.175 1.254 1.111 1.00 0.00 C HETATM 48 O14 UNL 1 -5.379 0.733 0.702 1.00 0.00 O HETATM 49 C35 UNL 1 -6.634 0.825 1.278 1.00 0.00 C HETATM 50 O15 UNL 1 -7.084 -0.431 1.650 1.00 0.00 O HETATM 51 C36 UNL 1 -8.358 -0.739 1.298 1.00 0.00 C HETATM 52 C37 UNL 1 -8.580 -2.220 1.633 1.00 0.00 C HETATM 53 O16 UNL 1 -9.872 -2.623 1.302 1.00 0.00 O HETATM 54 C38 UNL 1 -8.572 -0.588 -0.196 1.00 0.00 C HETATM 55 O17 UNL 1 -9.840 -1.016 -0.577 1.00 0.00 O HETATM 56 C39 UNL 1 -8.289 0.839 -0.633 1.00 0.00 C HETATM 57 O18 UNL 1 -7.624 0.885 -1.854 1.00 0.00 O HETATM 58 C40 UNL 1 -7.618 1.624 0.456 1.00 0.00 C HETATM 59 O19 UNL 1 -8.612 2.156 1.302 1.00 0.00 O HETATM 60 C41 UNL 1 -3.055 0.942 0.333 1.00 0.00 C HETATM 61 C42 UNL 1 -3.201 0.147 -0.869 1.00 0.00 C HETATM 62 O20 UNL 1 -4.359 -0.265 -1.134 1.00 0.00 O HETATM 63 H1 UNL 1 0.446 -1.370 -6.021 1.00 0.00 H HETATM 64 H2 UNL 1 -1.210 -1.701 -4.574 1.00 0.00 H HETATM 65 H3 UNL 1 -4.273 -1.373 -2.938 1.00 0.00 H HETATM 66 H4 UNL 1 1.299 0.445 -1.953 1.00 0.00 H HETATM 67 H5 UNL 1 -0.295 2.160 -0.446 1.00 0.00 H HETATM 68 H6 UNL 1 0.255 1.153 1.804 1.00 0.00 H HETATM 69 H7 UNL 1 -1.442 -0.779 1.708 1.00 0.00 H HETATM 70 H8 UNL 1 -1.705 -5.358 1.759 1.00 0.00 H HETATM 71 H9 UNL 1 0.652 -4.531 1.846 1.00 0.00 H HETATM 72 H10 UNL 1 3.099 -4.463 1.155 1.00 0.00 H HETATM 73 H11 UNL 1 6.615 1.848 -0.893 1.00 0.00 H HETATM 74 H12 UNL 1 8.456 0.697 -2.671 1.00 0.00 H HETATM 75 H13 UNL 1 9.925 -1.259 -2.589 1.00 0.00 H HETATM 76 H14 UNL 1 8.189 -1.706 -2.930 1.00 0.00 H HETATM 77 H15 UNL 1 9.713 -2.379 -0.694 1.00 0.00 H HETATM 78 H16 UNL 1 9.919 -0.208 -0.179 1.00 0.00 H HETATM 79 H17 UNL 1 11.253 1.209 -1.002 1.00 0.00 H HETATM 80 H18 UNL 1 8.508 2.508 -0.189 1.00 0.00 H HETATM 81 H19 UNL 1 10.147 2.629 1.151 1.00 0.00 H HETATM 82 H20 UNL 1 7.754 -0.191 1.066 1.00 0.00 H HETATM 83 H21 UNL 1 6.072 1.423 1.970 1.00 0.00 H HETATM 84 H22 UNL 1 5.173 3.111 -0.327 1.00 0.00 H HETATM 85 H23 UNL 1 3.124 4.423 -0.022 1.00 0.00 H HETATM 86 H24 UNL 1 0.985 3.345 0.523 1.00 0.00 H HETATM 87 H25 UNL 1 -0.755 2.656 2.125 1.00 0.00 H HETATM 88 H26 UNL 1 -2.722 3.142 3.450 1.00 0.00 H HETATM 89 H27 UNL 1 -4.925 2.297 2.851 1.00 0.00 H HETATM 90 H28 UNL 1 -6.543 1.390 2.257 1.00 0.00 H HETATM 91 H29 UNL 1 -9.082 -0.090 1.811 1.00 0.00 H HETATM 92 H30 UNL 1 -7.861 -2.799 1.013 1.00 0.00 H HETATM 93 H31 UNL 1 -8.356 -2.424 2.703 1.00 0.00 H HETATM 94 H32 UNL 1 -10.465 -2.385 2.054 1.00 0.00 H HETATM 95 H33 UNL 1 -7.834 -1.225 -0.722 1.00 0.00 H HETATM 96 H34 UNL 1 -10.505 -0.304 -0.617 1.00 0.00 H HETATM 97 H35 UNL 1 -9.291 1.312 -0.809 1.00 0.00 H HETATM 98 H36 UNL 1 -6.666 1.084 -1.779 1.00 0.00 H HETATM 99 H37 UNL 1 -7.098 2.475 0.010 1.00 0.00 H HETATM 100 H38 UNL 1 -8.283 2.162 2.240 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 63 CONECT 4 5 5 10 CONECT 5 6 64 CONECT 6 7 8 8 CONECT 7 65 CONECT 8 9 61 CONECT 9 10 10 11 CONECT 10 66 CONECT 11 12 43 67 CONECT 12 13 42 68 CONECT 13 14 14 22 CONECT 14 15 69 CONECT 15 16 19 19 CONECT 16 17 17 18 CONECT 18 70 CONECT 19 20 71 CONECT 20 21 22 22 CONECT 21 72 CONECT 22 23 CONECT 23 24 24 25 CONECT 25 26 26 42 CONECT 26 27 39 CONECT 27 28 CONECT 28 29 37 73 CONECT 29 30 CONECT 30 31 33 74 CONECT 31 32 75 76 CONECT 32 77 CONECT 33 34 35 78 CONECT 34 79 CONECT 35 36 37 80 CONECT 36 81 CONECT 37 38 82 CONECT 38 83 CONECT 39 40 40 84 CONECT 40 41 85 CONECT 41 42 42 86 CONECT 43 44 44 60 CONECT 44 45 87 CONECT 45 46 46 88 CONECT 46 47 89 CONECT 47 48 60 60 CONECT 48 49 CONECT 49 50 58 90 CONECT 50 51 CONECT 51 52 54 91 CONECT 52 53 92 93 CONECT 53 94 CONECT 54 55 56 95 CONECT 55 96 CONECT 56 57 58 97 CONECT 57 98 CONECT 58 59 99 CONECT 59 100 CONECT 60 61 CONECT 61 62 62 END