COMPND HMDB0034289 HETATM 1 C1 UNL 1 -8.512 0.966 1.572 1.00 0.00 C HETATM 2 C2 UNL 1 -7.177 0.479 2.085 1.00 0.00 C HETATM 3 C3 UNL 1 -6.127 0.496 0.981 1.00 0.00 C HETATM 4 C4 UNL 1 -4.807 0.008 1.511 1.00 0.00 C HETATM 5 C5 UNL 1 -3.729 0.007 0.453 1.00 0.00 C HETATM 6 C6 UNL 1 -4.110 -0.882 -0.685 1.00 0.00 C HETATM 7 C7 UNL 1 -3.072 -0.925 -1.772 1.00 0.00 C HETATM 8 C8 UNL 1 -1.739 -1.435 -1.262 1.00 0.00 C HETATM 9 C9 UNL 1 -0.734 -1.458 -2.394 1.00 0.00 C HETATM 10 C10 UNL 1 0.608 -1.953 -1.959 1.00 0.00 C HETATM 11 C11 UNL 1 1.203 -1.087 -0.871 1.00 0.00 C HETATM 12 C12 UNL 1 1.381 0.342 -1.339 1.00 0.00 C HETATM 13 C13 UNL 1 1.973 1.168 -0.222 1.00 0.00 C HETATM 14 C14 UNL 1 3.327 0.613 0.193 1.00 0.00 C HETATM 15 C15 UNL 1 4.303 0.612 -0.942 1.00 0.00 C HETATM 16 C16 UNL 1 5.621 0.046 -0.489 1.00 0.00 C HETATM 17 C17 UNL 1 6.192 0.865 0.623 1.00 0.00 C HETATM 18 C18 UNL 1 7.544 0.302 1.087 1.00 0.00 C HETATM 19 C19 UNL 1 8.018 1.206 2.204 1.00 0.00 C HETATM 20 H1 UNL 1 -9.017 0.167 0.965 1.00 0.00 H HETATM 21 H2 UNL 1 -9.160 1.353 2.357 1.00 0.00 H HETATM 22 H3 UNL 1 -8.341 1.804 0.837 1.00 0.00 H HETATM 23 H4 UNL 1 -7.250 -0.541 2.493 1.00 0.00 H HETATM 24 H5 UNL 1 -6.846 1.152 2.894 1.00 0.00 H HETATM 25 H6 UNL 1 -6.015 1.522 0.574 1.00 0.00 H HETATM 26 H7 UNL 1 -6.541 -0.133 0.168 1.00 0.00 H HETATM 27 H8 UNL 1 -4.524 0.647 2.354 1.00 0.00 H HETATM 28 H9 UNL 1 -4.898 -1.025 1.889 1.00 0.00 H HETATM 29 H10 UNL 1 -2.793 -0.311 0.963 1.00 0.00 H HETATM 30 H11 UNL 1 -3.543 1.058 0.125 1.00 0.00 H HETATM 31 H12 UNL 1 -4.337 -1.886 -0.273 1.00 0.00 H HETATM 32 H13 UNL 1 -5.024 -0.418 -1.159 1.00 0.00 H HETATM 33 H14 UNL 1 -2.963 0.103 -2.173 1.00 0.00 H HETATM 34 H15 UNL 1 -3.380 -1.564 -2.623 1.00 0.00 H HETATM 35 H16 UNL 1 -1.400 -0.752 -0.457 1.00 0.00 H HETATM 36 H17 UNL 1 -1.827 -2.443 -0.838 1.00 0.00 H HETATM 37 H18 UNL 1 -1.139 -2.109 -3.185 1.00 0.00 H HETATM 38 H19 UNL 1 -0.627 -0.444 -2.813 1.00 0.00 H HETATM 39 H20 UNL 1 1.286 -1.912 -2.827 1.00 0.00 H HETATM 40 H21 UNL 1 0.552 -2.985 -1.551 1.00 0.00 H HETATM 41 H22 UNL 1 0.608 -1.071 0.048 1.00 0.00 H HETATM 42 H23 UNL 1 2.188 -1.535 -0.633 1.00 0.00 H HETATM 43 H24 UNL 1 2.026 0.424 -2.234 1.00 0.00 H HETATM 44 H25 UNL 1 0.373 0.805 -1.552 1.00 0.00 H HETATM 45 H26 UNL 1 1.267 1.185 0.634 1.00 0.00 H HETATM 46 H27 UNL 1 2.072 2.216 -0.554 1.00 0.00 H HETATM 47 H28 UNL 1 3.250 -0.388 0.653 1.00 0.00 H HETATM 48 H29 UNL 1 3.673 1.292 1.013 1.00 0.00 H HETATM 49 H30 UNL 1 4.421 1.636 -1.361 1.00 0.00 H HETATM 50 H31 UNL 1 3.960 -0.028 -1.784 1.00 0.00 H HETATM 51 H32 UNL 1 6.317 0.139 -1.359 1.00 0.00 H HETATM 52 H33 UNL 1 5.468 -1.014 -0.219 1.00 0.00 H HETATM 53 H34 UNL 1 6.385 1.910 0.311 1.00 0.00 H HETATM 54 H35 UNL 1 5.558 0.876 1.544 1.00 0.00 H HETATM 55 H36 UNL 1 8.263 0.330 0.233 1.00 0.00 H HETATM 56 H37 UNL 1 7.453 -0.733 1.444 1.00 0.00 H HETATM 57 H38 UNL 1 8.411 2.136 1.718 1.00 0.00 H HETATM 58 H39 UNL 1 7.131 1.504 2.785 1.00 0.00 H HETATM 59 H40 UNL 1 8.799 0.720 2.818 1.00 0.00 H CONECT 1 2 20 21 22 CONECT 2 3 23 24 CONECT 3 4 25 26 CONECT 4 5 27 28 CONECT 5 6 29 30 CONECT 6 7 31 32 CONECT 7 8 33 34 CONECT 8 9 35 36 CONECT 9 10 37 38 CONECT 10 11 39 40 CONECT 11 12 41 42 CONECT 12 13 43 44 CONECT 13 14 45 46 CONECT 14 15 47 48 CONECT 15 16 49 50 CONECT 16 17 51 52 CONECT 17 18 53 54 CONECT 18 19 55 56 CONECT 19 57 58 59 END