COMPND HMDB0029790 HETATM 1 O1 UNL 1 4.259 2.640 3.719 1.00 0.00 O HETATM 2 C1 UNL 1 3.239 2.335 3.058 1.00 0.00 C HETATM 3 C2 UNL 1 3.142 1.133 2.256 1.00 0.00 C HETATM 4 C3 UNL 1 4.158 0.215 2.142 1.00 0.00 C HETATM 5 C4 UNL 1 4.056 -0.939 1.369 1.00 0.00 C HETATM 6 C5 UNL 1 2.869 -1.153 0.693 1.00 0.00 C HETATM 7 C6 UNL 1 1.834 -0.246 0.791 1.00 0.00 C HETATM 8 C7 UNL 1 1.970 0.881 1.562 1.00 0.00 C HETATM 9 C8 UNL 1 0.722 -0.796 -0.081 1.00 0.00 C HETATM 10 C9 UNL 1 -0.191 -1.511 0.799 1.00 0.00 C HETATM 11 C10 UNL 1 0.235 -2.231 1.898 1.00 0.00 C HETATM 12 C11 UNL 1 -0.611 -2.876 2.765 1.00 0.00 C HETATM 13 O2 UNL 1 -0.130 -3.578 3.841 1.00 0.00 O HETATM 14 C12 UNL 1 -1.960 -2.803 2.535 1.00 0.00 C HETATM 15 C13 UNL 1 -2.443 -2.102 1.459 1.00 0.00 C HETATM 16 C14 UNL 1 -1.548 -1.447 0.575 1.00 0.00 C HETATM 17 C15 UNL 1 -2.424 -0.883 -0.457 1.00 0.00 C HETATM 18 C16 UNL 1 -1.988 -0.154 -1.570 1.00 0.00 C HETATM 19 C17 UNL 1 -2.121 1.197 -1.744 1.00 0.00 C HETATM 20 C18 UNL 1 -1.677 1.853 -2.900 1.00 0.00 C HETATM 21 O3 UNL 1 -1.833 3.223 -3.032 1.00 0.00 O HETATM 22 C19 UNL 1 -1.087 1.153 -3.910 1.00 0.00 C HETATM 23 C20 UNL 1 -0.934 -0.202 -3.776 1.00 0.00 C HETATM 24 O4 UNL 1 -0.335 -0.897 -4.807 1.00 0.00 O HETATM 25 C21 UNL 1 -1.373 -0.823 -2.642 1.00 0.00 C HETATM 26 C22 UNL 1 -3.591 -0.492 0.370 1.00 0.00 C HETATM 27 C23 UNL 1 -3.460 0.456 1.442 1.00 0.00 C HETATM 28 C24 UNL 1 -2.448 1.330 1.717 1.00 0.00 C HETATM 29 C25 UNL 1 -2.450 2.200 2.784 1.00 0.00 C HETATM 30 C26 UNL 1 -3.535 2.223 3.666 1.00 0.00 C HETATM 31 O5 UNL 1 -3.487 3.107 4.711 1.00 0.00 O HETATM 32 C27 UNL 1 -4.562 1.363 3.421 1.00 0.00 C HETATM 33 C28 UNL 1 -4.535 0.506 2.350 1.00 0.00 C HETATM 34 O6 UNL 1 -3.767 -1.851 0.985 1.00 0.00 O HETATM 35 C29 UNL 1 1.513 -1.597 -1.039 1.00 0.00 C HETATM 36 C30 UNL 1 2.311 -0.808 -1.978 1.00 0.00 C HETATM 37 C31 UNL 1 3.451 -1.435 -2.504 1.00 0.00 C HETATM 38 C32 UNL 1 4.273 -0.780 -3.396 1.00 0.00 C HETATM 39 C33 UNL 1 4.015 0.518 -3.812 1.00 0.00 C HETATM 40 O7 UNL 1 4.861 1.168 -4.718 1.00 0.00 O HETATM 41 C34 UNL 1 2.902 1.138 -3.301 1.00 0.00 C HETATM 42 C35 UNL 1 2.082 0.465 -2.403 1.00 0.00 C HETATM 43 O8 UNL 1 2.474 -2.210 -0.150 1.00 0.00 O HETATM 44 H1 UNL 1 2.407 3.017 3.106 1.00 0.00 H HETATM 45 H2 UNL 1 5.069 0.415 2.684 1.00 0.00 H HETATM 46 H3 UNL 1 4.878 -1.648 1.298 1.00 0.00 H HETATM 47 H4 UNL 1 1.119 1.559 1.600 1.00 0.00 H HETATM 48 H5 UNL 1 0.260 0.097 -0.563 1.00 0.00 H HETATM 49 H6 UNL 1 1.301 -2.292 2.086 1.00 0.00 H HETATM 50 H7 UNL 1 -0.703 -4.070 4.510 1.00 0.00 H HETATM 51 H8 UNL 1 -2.673 -3.307 3.210 1.00 0.00 H HETATM 52 H9 UNL 1 -2.837 -1.894 -0.940 1.00 0.00 H HETATM 53 H10 UNL 1 -2.583 1.856 -1.024 1.00 0.00 H HETATM 54 H11 UNL 1 -1.528 3.712 -3.837 1.00 0.00 H HETATM 55 H12 UNL 1 -0.746 1.650 -4.794 1.00 0.00 H HETATM 56 H13 UNL 1 -0.175 -1.892 -4.810 1.00 0.00 H HETATM 57 H14 UNL 1 -1.237 -1.913 -2.562 1.00 0.00 H HETATM 58 H15 UNL 1 -4.493 -0.359 -0.213 1.00 0.00 H HETATM 59 H16 UNL 1 -1.605 1.337 1.076 1.00 0.00 H HETATM 60 H17 UNL 1 -1.617 2.877 2.957 1.00 0.00 H HETATM 61 H18 UNL 1 -4.242 3.179 5.393 1.00 0.00 H HETATM 62 H19 UNL 1 -5.412 1.379 4.110 1.00 0.00 H HETATM 63 H20 UNL 1 -5.389 -0.162 2.204 1.00 0.00 H HETATM 64 H21 UNL 1 0.968 -2.416 -1.524 1.00 0.00 H HETATM 65 H22 UNL 1 3.690 -2.441 -2.210 1.00 0.00 H HETATM 66 H23 UNL 1 5.161 -1.240 -3.819 1.00 0.00 H HETATM 67 H24 UNL 1 4.618 2.113 -4.981 1.00 0.00 H HETATM 68 H25 UNL 1 2.659 2.155 -3.597 1.00 0.00 H HETATM 69 H26 UNL 1 1.239 0.996 -2.047 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 44 CONECT 3 4 4 8 CONECT 4 5 45 CONECT 5 6 6 46 CONECT 6 7 43 CONECT 7 8 8 9 CONECT 8 47 CONECT 9 10 35 48 CONECT 10 11 11 16 CONECT 11 12 49 CONECT 12 13 14 14 CONECT 13 50 CONECT 14 15 51 CONECT 15 16 16 34 CONECT 16 17 CONECT 17 18 26 52 CONECT 18 19 19 25 CONECT 19 20 53 CONECT 20 21 22 22 CONECT 21 54 CONECT 22 23 55 CONECT 23 24 25 25 CONECT 24 56 CONECT 25 57 CONECT 26 27 34 58 CONECT 27 28 28 33 CONECT 28 29 59 CONECT 29 30 30 60 CONECT 30 31 32 CONECT 31 61 CONECT 32 33 33 62 CONECT 33 63 CONECT 35 36 43 64 CONECT 36 37 37 42 CONECT 37 38 65 CONECT 38 39 39 66 CONECT 39 40 41 CONECT 40 67 CONECT 41 42 42 68 CONECT 42 69 END