COMPND HMDB0035004 HETATM 1 O1 UNL 1 -0.390 3.956 -0.634 1.00 0.00 O HETATM 2 C1 UNL 1 -0.221 2.738 -0.367 1.00 0.00 C HETATM 3 C2 UNL 1 1.078 2.266 -0.127 1.00 0.00 C HETATM 4 C3 UNL 1 1.298 0.950 0.167 1.00 0.00 C HETATM 5 C4 UNL 1 2.682 0.467 0.406 1.00 0.00 C HETATM 6 C5 UNL 1 2.907 -0.852 0.732 1.00 0.00 C HETATM 7 C6 UNL 1 4.184 -1.348 0.868 1.00 0.00 C HETATM 8 C7 UNL 1 5.322 -0.540 0.681 1.00 0.00 C HETATM 9 O2 UNL 1 6.558 -1.148 0.833 1.00 0.00 O HETATM 10 C8 UNL 1 7.795 -0.533 0.500 1.00 0.00 C HETATM 11 O3 UNL 1 8.143 -1.179 -0.712 1.00 0.00 O HETATM 12 C9 UNL 1 9.401 -0.951 -1.161 1.00 0.00 C HETATM 13 C10 UNL 1 9.564 0.383 -1.888 1.00 0.00 C HETATM 14 O4 UNL 1 9.284 1.470 -1.103 1.00 0.00 O HETATM 15 C11 UNL 1 10.469 -1.149 -0.129 1.00 0.00 C HETATM 16 O5 UNL 1 11.449 -2.050 -0.561 1.00 0.00 O HETATM 17 C12 UNL 1 9.843 -1.737 1.118 1.00 0.00 C HETATM 18 O6 UNL 1 10.785 -1.798 2.160 1.00 0.00 O HETATM 19 C13 UNL 1 8.779 -0.740 1.591 1.00 0.00 C HETATM 20 O7 UNL 1 9.500 0.445 1.876 1.00 0.00 O HETATM 21 C14 UNL 1 5.099 0.767 0.363 1.00 0.00 C HETATM 22 C15 UNL 1 3.785 1.252 0.230 1.00 0.00 C HETATM 23 O8 UNL 1 0.288 0.143 0.225 1.00 0.00 O HETATM 24 C16 UNL 1 -0.962 0.505 0.012 1.00 0.00 C HETATM 25 C17 UNL 1 -1.981 -0.457 0.090 1.00 0.00 C HETATM 26 C18 UNL 1 -3.277 -0.091 -0.144 1.00 0.00 C HETATM 27 O9 UNL 1 -4.343 -0.946 -0.104 1.00 0.00 O HETATM 28 C19 UNL 1 -4.320 -2.331 0.074 1.00 0.00 C HETATM 29 O10 UNL 1 -5.080 -2.661 1.147 1.00 0.00 O HETATM 30 C20 UNL 1 -5.658 -3.881 1.222 1.00 0.00 C HETATM 31 C21 UNL 1 -4.794 -5.015 1.683 1.00 0.00 C HETATM 32 O11 UNL 1 -4.279 -4.869 2.956 1.00 0.00 O HETATM 33 C22 UNL 1 -6.391 -4.305 -0.042 1.00 0.00 C HETATM 34 O12 UNL 1 -7.513 -3.544 -0.252 1.00 0.00 O HETATM 35 C23 UNL 1 -5.410 -4.239 -1.213 1.00 0.00 C HETATM 36 O13 UNL 1 -6.179 -4.355 -2.398 1.00 0.00 O HETATM 37 C24 UNL 1 -4.751 -2.906 -1.263 1.00 0.00 C HETATM 38 O14 UNL 1 -3.605 -3.002 -2.063 1.00 0.00 O HETATM 39 C25 UNL 1 -3.567 1.248 -0.459 1.00 0.00 C HETATM 40 C26 UNL 1 -5.015 1.619 -0.653 1.00 0.00 C HETATM 41 O15 UNL 1 -5.466 1.890 0.607 1.00 0.00 O HETATM 42 C27 UNL 1 -5.992 3.041 0.997 1.00 0.00 C HETATM 43 C28 UNL 1 -5.059 3.628 2.089 1.00 0.00 C HETATM 44 O16 UNL 1 -5.580 4.837 2.554 1.00 0.00 O HETATM 45 C29 UNL 1 -6.261 4.138 0.035 1.00 0.00 C HETATM 46 O17 UNL 1 -5.690 5.369 0.466 1.00 0.00 O HETATM 47 C30 UNL 1 -5.797 3.949 -1.363 1.00 0.00 C HETATM 48 O18 UNL 1 -5.065 5.055 -1.867 1.00 0.00 O HETATM 49 C31 UNL 1 -5.200 2.642 -1.682 1.00 0.00 C HETATM 50 O19 UNL 1 -4.135 2.821 -2.587 1.00 0.00 O HETATM 51 C32 UNL 1 -2.573 2.180 -0.527 1.00 0.00 C HETATM 52 O20 UNL 1 -2.790 3.477 -0.807 1.00 0.00 O HETATM 53 C33 UNL 1 -1.233 1.817 -0.289 1.00 0.00 C HETATM 54 H1 UNL 1 1.863 2.998 -0.190 1.00 0.00 H HETATM 55 H2 UNL 1 2.022 -1.476 0.879 1.00 0.00 H HETATM 56 H3 UNL 1 4.344 -2.366 1.122 1.00 0.00 H HETATM 57 H4 UNL 1 7.623 0.507 0.219 1.00 0.00 H HETATM 58 H5 UNL 1 9.595 -1.731 -1.961 1.00 0.00 H HETATM 59 H6 UNL 1 10.577 0.477 -2.315 1.00 0.00 H HETATM 60 H7 UNL 1 8.881 0.412 -2.781 1.00 0.00 H HETATM 61 H8 UNL 1 9.861 2.257 -1.311 1.00 0.00 H HETATM 62 H9 UNL 1 10.948 -0.181 0.148 1.00 0.00 H HETATM 63 H10 UNL 1 10.960 -2.792 -1.019 1.00 0.00 H HETATM 64 H11 UNL 1 9.357 -2.691 0.933 1.00 0.00 H HETATM 65 H12 UNL 1 10.588 -2.598 2.708 1.00 0.00 H HETATM 66 H13 UNL 1 8.356 -1.044 2.568 1.00 0.00 H HETATM 67 H14 UNL 1 10.176 0.232 2.566 1.00 0.00 H HETATM 68 H15 UNL 1 5.937 1.431 0.218 1.00 0.00 H HETATM 69 H16 UNL 1 3.688 2.296 -0.013 1.00 0.00 H HETATM 70 H17 UNL 1 -1.699 -1.469 0.334 1.00 0.00 H HETATM 71 H18 UNL 1 -3.283 -2.690 0.223 1.00 0.00 H HETATM 72 H19 UNL 1 -6.479 -3.802 2.000 1.00 0.00 H HETATM 73 H20 UNL 1 -5.382 -5.965 1.665 1.00 0.00 H HETATM 74 H21 UNL 1 -3.920 -5.192 1.017 1.00 0.00 H HETATM 75 H22 UNL 1 -4.527 -5.610 3.566 1.00 0.00 H HETATM 76 H23 UNL 1 -6.683 -5.361 0.071 1.00 0.00 H HETATM 77 H24 UNL 1 -7.410 -2.605 0.049 1.00 0.00 H HETATM 78 H25 UNL 1 -4.679 -5.067 -1.139 1.00 0.00 H HETATM 79 H26 UNL 1 -6.543 -3.445 -2.559 1.00 0.00 H HETATM 80 H27 UNL 1 -5.443 -2.143 -1.744 1.00 0.00 H HETATM 81 H28 UNL 1 -3.460 -2.143 -2.557 1.00 0.00 H HETATM 82 H29 UNL 1 -5.571 0.648 -0.950 1.00 0.00 H HETATM 83 H30 UNL 1 -6.943 2.855 1.593 1.00 0.00 H HETATM 84 H31 UNL 1 -4.058 3.780 1.642 1.00 0.00 H HETATM 85 H32 UNL 1 -4.948 2.925 2.930 1.00 0.00 H HETATM 86 H33 UNL 1 -6.243 4.625 3.276 1.00 0.00 H HETATM 87 H34 UNL 1 -7.371 4.372 0.055 1.00 0.00 H HETATM 88 H35 UNL 1 -6.078 6.119 -0.018 1.00 0.00 H HETATM 89 H36 UNL 1 -6.757 4.030 -1.999 1.00 0.00 H HETATM 90 H37 UNL 1 -4.546 5.513 -1.185 1.00 0.00 H HETATM 91 H38 UNL 1 -5.981 2.127 -2.432 1.00 0.00 H HETATM 92 H39 UNL 1 -3.943 2.002 -3.097 1.00 0.00 H HETATM 93 H40 UNL 1 -2.463 4.338 -0.941 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 53 CONECT 3 4 4 54 CONECT 4 5 23 CONECT 5 6 6 22 CONECT 6 7 55 CONECT 7 8 8 56 CONECT 8 9 21 CONECT 9 10 CONECT 10 11 19 57 CONECT 11 12 CONECT 12 13 15 58 CONECT 13 14 59 60 CONECT 14 61 CONECT 15 16 17 62 CONECT 16 63 CONECT 17 18 19 64 CONECT 18 65 CONECT 19 20 66 CONECT 20 67 CONECT 21 22 22 68 CONECT 22 69 CONECT 23 24 CONECT 24 25 25 53 CONECT 25 26 70 CONECT 26 27 39 39 CONECT 27 28 CONECT 28 29 37 71 CONECT 29 30 CONECT 30 31 33 72 CONECT 31 32 73 74 CONECT 32 75 CONECT 33 34 35 76 CONECT 34 77 CONECT 35 36 37 78 CONECT 36 79 CONECT 37 38 80 CONECT 38 81 CONECT 39 40 51 CONECT 40 41 49 82 CONECT 41 42 CONECT 42 43 45 83 CONECT 43 44 84 85 CONECT 44 86 CONECT 45 46 47 87 CONECT 46 88 CONECT 47 48 49 89 CONECT 48 90 CONECT 49 50 91 CONECT 50 92 CONECT 51 52 53 53 CONECT 52 93 END