COMPND HMDB0040969 HETATM 1 C1 UNL 1 6.990 -0.418 -4.950 1.00 0.00 C HETATM 2 C2 UNL 1 7.980 -0.476 -3.804 1.00 0.00 C HETATM 3 O1 UNL 1 7.414 -1.076 -2.686 1.00 0.00 O HETATM 4 C3 UNL 1 6.371 -0.391 -2.124 1.00 0.00 C HETATM 5 O2 UNL 1 5.149 -0.470 -2.780 1.00 0.00 O HETATM 6 C4 UNL 1 3.899 -0.576 -2.212 1.00 0.00 C HETATM 7 C5 UNL 1 2.779 -0.722 -3.028 1.00 0.00 C HETATM 8 C6 UNL 1 1.509 -0.828 -2.470 1.00 0.00 C HETATM 9 O3 UNL 1 0.382 -0.974 -3.264 1.00 0.00 O HETATM 10 C7 UNL 1 1.333 -0.789 -1.087 1.00 0.00 C HETATM 11 C8 UNL 1 0.069 -0.889 -0.544 1.00 0.00 C HETATM 12 O4 UNL 1 -0.894 -1.021 -1.317 1.00 0.00 O HETATM 13 C9 UNL 1 -0.100 -0.841 0.871 1.00 0.00 C HETATM 14 O5 UNL 1 -1.367 -0.958 1.285 1.00 0.00 O HETATM 15 C10 UNL 1 -2.460 -0.108 1.391 1.00 0.00 C HETATM 16 O6 UNL 1 -2.938 -0.053 2.678 1.00 0.00 O HETATM 17 C11 UNL 1 -3.088 -1.328 3.185 1.00 0.00 C HETATM 18 C12 UNL 1 -3.601 -1.125 4.623 1.00 0.00 C HETATM 19 O7 UNL 1 -4.826 -0.423 4.569 1.00 0.00 O HETATM 20 C13 UNL 1 -4.171 -2.108 2.476 1.00 0.00 C HETATM 21 O8 UNL 1 -3.967 -3.455 2.838 1.00 0.00 O HETATM 22 C14 UNL 1 -4.134 -1.938 0.999 1.00 0.00 C HETATM 23 O9 UNL 1 -5.429 -2.166 0.508 1.00 0.00 O HETATM 24 C15 UNL 1 -3.590 -0.640 0.518 1.00 0.00 C HETATM 25 O10 UNL 1 -4.568 0.334 0.298 1.00 0.00 O HETATM 26 C16 UNL 1 -4.734 0.700 -0.992 1.00 0.00 C HETATM 27 O11 UNL 1 -6.043 0.426 -1.463 1.00 0.00 O HETATM 28 C17 UNL 1 -7.006 1.132 -0.758 1.00 0.00 C HETATM 29 C18 UNL 1 -8.355 0.577 -1.155 1.00 0.00 C HETATM 30 C19 UNL 1 -6.986 2.585 -1.194 1.00 0.00 C HETATM 31 O12 UNL 1 -7.089 3.435 -0.123 1.00 0.00 O HETATM 32 C20 UNL 1 -5.681 2.848 -1.905 1.00 0.00 C HETATM 33 O13 UNL 1 -5.429 4.217 -1.849 1.00 0.00 O HETATM 34 C21 UNL 1 -4.533 2.192 -1.136 1.00 0.00 C HETATM 35 O14 UNL 1 -3.376 2.499 -1.890 1.00 0.00 O HETATM 36 C22 UNL 1 1.026 -0.700 1.577 1.00 0.00 C HETATM 37 C23 UNL 1 1.129 -0.640 3.026 1.00 0.00 C HETATM 38 C24 UNL 1 0.152 -0.232 3.851 1.00 0.00 C HETATM 39 C25 UNL 1 0.206 -0.262 5.260 1.00 0.00 C HETATM 40 C26 UNL 1 1.364 -0.748 5.822 1.00 0.00 C HETATM 41 O15 UNL 1 1.546 -0.829 7.176 1.00 0.00 O HETATM 42 C27 UNL 1 2.389 -1.172 4.997 1.00 0.00 C HETATM 43 C28 UNL 1 2.300 -1.131 3.638 1.00 0.00 C HETATM 44 O16 UNL 1 2.244 -0.608 0.985 1.00 0.00 O HETATM 45 C29 UNL 1 2.436 -0.645 -0.285 1.00 0.00 C HETATM 46 C30 UNL 1 3.696 -0.543 -0.862 1.00 0.00 C HETATM 47 C31 UNL 1 6.765 1.085 -1.965 1.00 0.00 C HETATM 48 O17 UNL 1 6.374 1.568 -0.712 1.00 0.00 O HETATM 49 C32 UNL 1 8.250 1.242 -2.104 1.00 0.00 C HETATM 50 O18 UNL 1 8.946 0.394 -1.253 1.00 0.00 O HETATM 51 C33 UNL 1 8.645 0.836 -3.530 1.00 0.00 C HETATM 52 O19 UNL 1 10.031 0.770 -3.531 1.00 0.00 O HETATM 53 H1 UNL 1 6.259 0.361 -4.732 1.00 0.00 H HETATM 54 H2 UNL 1 7.504 -0.280 -5.922 1.00 0.00 H HETATM 55 H3 UNL 1 6.517 -1.431 -5.009 1.00 0.00 H HETATM 56 H4 UNL 1 8.792 -1.183 -4.145 1.00 0.00 H HETATM 57 H5 UNL 1 6.270 -0.743 -1.052 1.00 0.00 H HETATM 58 H6 UNL 1 2.943 -0.748 -4.094 1.00 0.00 H HETATM 59 H7 UNL 1 0.504 -1.001 -4.278 1.00 0.00 H HETATM 60 H8 UNL 1 -2.199 0.921 1.005 1.00 0.00 H HETATM 61 H9 UNL 1 -2.158 -1.893 3.248 1.00 0.00 H HETATM 62 H10 UNL 1 -3.779 -2.077 5.142 1.00 0.00 H HETATM 63 H11 UNL 1 -2.914 -0.483 5.210 1.00 0.00 H HETATM 64 H12 UNL 1 -5.538 -0.965 4.990 1.00 0.00 H HETATM 65 H13 UNL 1 -5.176 -1.853 2.886 1.00 0.00 H HETATM 66 H14 UNL 1 -3.009 -3.703 2.728 1.00 0.00 H HETATM 67 H15 UNL 1 -3.514 -2.788 0.592 1.00 0.00 H HETATM 68 H16 UNL 1 -5.453 -2.692 -0.302 1.00 0.00 H HETATM 69 H17 UNL 1 -3.180 -0.815 -0.479 1.00 0.00 H HETATM 70 H18 UNL 1 -4.086 0.207 -1.746 1.00 0.00 H HETATM 71 H19 UNL 1 -6.907 1.037 0.331 1.00 0.00 H HETATM 72 H20 UNL 1 -8.948 0.367 -0.240 1.00 0.00 H HETATM 73 H21 UNL 1 -8.231 -0.406 -1.650 1.00 0.00 H HETATM 74 H22 UNL 1 -8.902 1.269 -1.834 1.00 0.00 H HETATM 75 H23 UNL 1 -7.802 2.835 -1.911 1.00 0.00 H HETATM 76 H24 UNL 1 -6.465 3.151 0.575 1.00 0.00 H HETATM 77 H25 UNL 1 -5.687 2.546 -2.951 1.00 0.00 H HETATM 78 H26 UNL 1 -5.718 4.622 -2.699 1.00 0.00 H HETATM 79 H27 UNL 1 -4.506 2.708 -0.152 1.00 0.00 H HETATM 80 H28 UNL 1 -3.478 2.080 -2.780 1.00 0.00 H HETATM 81 H29 UNL 1 -0.717 0.210 3.428 1.00 0.00 H HETATM 82 H30 UNL 1 -0.624 0.083 5.867 1.00 0.00 H HETATM 83 H31 UNL 1 1.952 -0.045 7.660 1.00 0.00 H HETATM 84 H32 UNL 1 3.313 -1.557 5.436 1.00 0.00 H HETATM 85 H33 UNL 1 3.092 -1.461 2.987 1.00 0.00 H HETATM 86 H34 UNL 1 4.511 -0.430 -0.152 1.00 0.00 H HETATM 87 H35 UNL 1 6.239 1.694 -2.722 1.00 0.00 H HETATM 88 H36 UNL 1 6.914 1.126 0.008 1.00 0.00 H HETATM 89 H37 UNL 1 8.543 2.271 -1.908 1.00 0.00 H HETATM 90 H38 UNL 1 9.872 0.256 -1.599 1.00 0.00 H HETATM 91 H39 UNL 1 8.303 1.612 -4.240 1.00 0.00 H HETATM 92 H40 UNL 1 10.453 1.641 -3.775 1.00 0.00 H CONECT 1 2 53 54 55 CONECT 2 3 51 56 CONECT 3 4 CONECT 4 5 47 57 CONECT 5 6 CONECT 6 7 7 46 CONECT 7 8 58 CONECT 8 9 10 10 CONECT 9 59 CONECT 10 11 45 CONECT 11 12 12 13 CONECT 13 14 36 36 CONECT 14 15 CONECT 15 16 24 60 CONECT 16 17 CONECT 17 18 20 61 CONECT 18 19 62 63 CONECT 19 64 CONECT 20 21 22 65 CONECT 21 66 CONECT 22 23 24 67 CONECT 23 68 CONECT 24 25 69 CONECT 25 26 CONECT 26 27 34 70 CONECT 27 28 CONECT 28 29 30 71 CONECT 29 72 73 74 CONECT 30 31 32 75 CONECT 31 76 CONECT 32 33 34 77 CONECT 33 78 CONECT 34 35 79 CONECT 35 80 CONECT 36 37 44 CONECT 37 38 38 43 CONECT 38 39 81 CONECT 39 40 40 82 CONECT 40 41 42 CONECT 41 83 CONECT 42 43 43 84 CONECT 43 85 CONECT 44 45 CONECT 45 46 46 CONECT 46 86 CONECT 47 48 49 87 CONECT 48 88 CONECT 49 50 51 89 CONECT 50 90 CONECT 51 52 91 CONECT 52 92 END