COMPND HMDB0015608 HETATM 1 C1 UNL 1 -6.386 1.971 -0.362 1.00 0.00 C HETATM 2 C2 UNL 1 -6.058 0.646 -1.006 1.00 0.00 C HETATM 3 C3 UNL 1 -4.841 0.045 -0.451 1.00 0.00 C HETATM 4 C4 UNL 1 -3.623 0.179 -1.112 1.00 0.00 C HETATM 5 C5 UNL 1 -2.469 -0.337 -0.610 1.00 0.00 C HETATM 6 C6 UNL 1 -2.475 -1.027 0.602 1.00 0.00 C HETATM 7 C7 UNL 1 -3.685 -1.157 1.243 1.00 0.00 C HETATM 8 C8 UNL 1 -4.859 -0.642 0.749 1.00 0.00 C HETATM 9 C9 UNL 1 -6.172 -0.805 1.432 1.00 0.00 C HETATM 10 C10 UNL 1 -7.001 -1.886 0.782 1.00 0.00 C HETATM 11 C11 UNL 1 -1.055 -1.428 0.922 1.00 0.00 C HETATM 12 C12 UNL 1 -0.351 -0.282 0.250 1.00 0.00 C HETATM 13 N1 UNL 1 1.068 -0.499 0.024 1.00 0.00 N HETATM 14 C13 UNL 1 1.551 0.817 -0.330 1.00 0.00 C HETATM 15 C14 UNL 1 2.931 0.928 -0.837 1.00 0.00 C HETATM 16 O1 UNL 1 2.817 0.163 -2.129 1.00 0.00 O HETATM 17 C15 UNL 1 3.998 0.219 -0.136 1.00 0.00 C HETATM 18 C16 UNL 1 3.922 -1.099 0.228 1.00 0.00 C HETATM 19 C17 UNL 1 4.991 -1.819 0.757 1.00 0.00 C HETATM 20 C18 UNL 1 6.175 -1.193 0.933 1.00 0.00 C HETATM 21 O2 UNL 1 7.246 -1.844 1.451 1.00 0.00 O HETATM 22 C19 UNL 1 6.320 0.151 0.586 1.00 0.00 C HETATM 23 N2 UNL 1 7.520 0.732 0.823 1.00 0.00 N HETATM 24 C20 UNL 1 7.733 2.035 0.552 1.00 0.00 C HETATM 25 O3 UNL 1 8.889 2.492 0.804 1.00 0.00 O HETATM 26 C21 UNL 1 6.689 2.766 0.021 1.00 0.00 C HETATM 27 C22 UNL 1 5.461 2.168 -0.223 1.00 0.00 C HETATM 28 C23 UNL 1 5.255 0.825 0.063 1.00 0.00 C HETATM 29 C24 UNL 1 -1.080 -0.320 -1.105 1.00 0.00 C HETATM 30 H1 UNL 1 -6.189 2.817 -1.106 1.00 0.00 H HETATM 31 H2 UNL 1 -7.476 2.013 -0.156 1.00 0.00 H HETATM 32 H3 UNL 1 -5.743 2.200 0.481 1.00 0.00 H HETATM 33 H4 UNL 1 -5.869 0.858 -2.091 1.00 0.00 H HETATM 34 H5 UNL 1 -6.939 -0.044 -1.007 1.00 0.00 H HETATM 35 H6 UNL 1 -3.620 0.722 -2.064 1.00 0.00 H HETATM 36 H7 UNL 1 -3.727 -1.700 2.213 1.00 0.00 H HETATM 37 H8 UNL 1 -5.979 -1.088 2.480 1.00 0.00 H HETATM 38 H9 UNL 1 -6.722 0.176 1.473 1.00 0.00 H HETATM 39 H10 UNL 1 -6.467 -2.258 -0.128 1.00 0.00 H HETATM 40 H11 UNL 1 -8.025 -1.556 0.530 1.00 0.00 H HETATM 41 H12 UNL 1 -7.119 -2.785 1.446 1.00 0.00 H HETATM 42 H13 UNL 1 -0.777 -2.391 0.504 1.00 0.00 H HETATM 43 H14 UNL 1 -0.866 -1.331 2.011 1.00 0.00 H HETATM 44 H15 UNL 1 -0.578 0.640 0.771 1.00 0.00 H HETATM 45 H16 UNL 1 1.424 -0.667 1.029 1.00 0.00 H HETATM 46 H17 UNL 1 0.883 1.279 -1.150 1.00 0.00 H HETATM 47 H18 UNL 1 1.339 1.489 0.551 1.00 0.00 H HETATM 48 H19 UNL 1 3.181 1.904 -1.254 1.00 0.00 H HETATM 49 H20 UNL 1 3.365 -0.631 -2.061 1.00 0.00 H HETATM 50 H21 UNL 1 3.033 -1.724 0.092 1.00 0.00 H HETATM 51 H22 UNL 1 4.846 -2.882 1.010 1.00 0.00 H HETATM 52 H23 UNL 1 7.343 -2.752 1.757 1.00 0.00 H HETATM 53 H24 UNL 1 8.280 0.166 1.205 1.00 0.00 H HETATM 54 H25 UNL 1 6.898 3.815 -0.195 1.00 0.00 H HETATM 55 H26 UNL 1 4.695 2.758 -0.635 1.00 0.00 H HETATM 56 H27 UNL 1 -0.814 0.508 -1.758 1.00 0.00 H HETATM 57 H28 UNL 1 -0.888 -1.337 -1.559 1.00 0.00 H CONECT 1 2 30 31 32 CONECT 2 3 33 34 CONECT 3 4 4 8 CONECT 4 5 35 CONECT 5 6 6 29 CONECT 6 7 11 CONECT 7 8 8 36 CONECT 8 9 CONECT 9 10 37 38 CONECT 10 39 40 41 CONECT 11 12 42 43 CONECT 12 13 29 44 CONECT 13 14 45 CONECT 14 15 46 47 CONECT 15 16 17 48 CONECT 16 49 CONECT 17 18 18 28 CONECT 18 19 50 CONECT 19 20 20 51 CONECT 20 21 22 CONECT 21 52 CONECT 22 23 28 28 CONECT 23 24 53 CONECT 24 25 25 26 CONECT 26 27 27 54 CONECT 27 28 55 CONECT 29 56 57 END