COMPND HMDB0032005 HETATM 1 C1 UNL 1 4.163 3.431 0.784 1.00 0.00 C HETATM 2 C2 UNL 1 4.645 2.420 -0.193 1.00 0.00 C HETATM 3 C3 UNL 1 5.336 2.836 -1.430 1.00 0.00 C HETATM 4 C4 UNL 1 4.460 1.141 0.048 1.00 0.00 C HETATM 5 C5 UNL 1 4.928 0.088 -0.908 1.00 0.00 C HETATM 6 C6 UNL 1 3.743 -0.748 -1.359 1.00 0.00 C HETATM 7 C7 UNL 1 3.112 -1.404 -0.146 1.00 0.00 C HETATM 8 C8 UNL 1 3.916 -2.309 0.704 1.00 0.00 C HETATM 9 C9 UNL 1 1.870 -1.129 0.132 1.00 0.00 C HETATM 10 C10 UNL 1 1.164 -1.710 1.278 1.00 0.00 C HETATM 11 C11 UNL 1 -0.177 -2.281 0.946 1.00 0.00 C HETATM 12 C12 UNL 1 -1.293 -1.443 0.873 1.00 0.00 C HETATM 13 C13 UNL 1 -1.149 -0.037 1.231 1.00 0.00 C HETATM 14 C14 UNL 1 -2.393 0.777 0.972 1.00 0.00 C HETATM 15 C15 UNL 1 -2.778 0.805 -0.446 1.00 0.00 C HETATM 16 O1 UNL 1 -2.024 0.301 -1.337 1.00 0.00 O HETATM 17 C16 UNL 1 -4.037 1.414 -0.822 1.00 0.00 C HETATM 18 C17 UNL 1 -4.385 1.365 -2.181 1.00 0.00 C HETATM 19 C18 UNL 1 -5.588 1.886 -2.598 1.00 0.00 C HETATM 20 C19 UNL 1 -6.468 2.462 -1.702 1.00 0.00 C HETATM 21 O2 UNL 1 -7.679 2.985 -2.126 1.00 0.00 O HETATM 22 C20 UNL 1 -6.149 2.523 -0.360 1.00 0.00 C HETATM 23 C21 UNL 1 -4.933 1.992 0.031 1.00 0.00 C HETATM 24 O3 UNL 1 -4.641 2.077 1.379 1.00 0.00 O HETATM 25 C22 UNL 1 -2.535 -1.958 0.520 1.00 0.00 C HETATM 26 C23 UNL 1 -2.608 -3.305 0.253 1.00 0.00 C HETATM 27 C24 UNL 1 -1.527 -4.144 0.321 1.00 0.00 C HETATM 28 O4 UNL 1 -1.664 -5.498 0.040 1.00 0.00 O HETATM 29 C25 UNL 1 -0.263 -3.627 0.679 1.00 0.00 C HETATM 30 O5 UNL 1 0.791 -4.516 0.734 1.00 0.00 O HETATM 31 H1 UNL 1 4.939 4.175 1.052 1.00 0.00 H HETATM 32 H2 UNL 1 3.308 3.989 0.306 1.00 0.00 H HETATM 33 H3 UNL 1 3.813 2.925 1.710 1.00 0.00 H HETATM 34 H4 UNL 1 4.696 2.605 -2.300 1.00 0.00 H HETATM 35 H5 UNL 1 6.340 2.351 -1.516 1.00 0.00 H HETATM 36 H6 UNL 1 5.452 3.944 -1.402 1.00 0.00 H HETATM 37 H7 UNL 1 3.956 0.816 0.959 1.00 0.00 H HETATM 38 H8 UNL 1 5.744 -0.524 -0.508 1.00 0.00 H HETATM 39 H9 UNL 1 5.291 0.606 -1.809 1.00 0.00 H HETATM 40 H10 UNL 1 4.124 -1.525 -2.062 1.00 0.00 H HETATM 41 H11 UNL 1 3.014 -0.067 -1.825 1.00 0.00 H HETATM 42 H12 UNL 1 3.679 -2.120 1.761 1.00 0.00 H HETATM 43 H13 UNL 1 5.018 -2.069 0.611 1.00 0.00 H HETATM 44 H14 UNL 1 3.746 -3.346 0.436 1.00 0.00 H HETATM 45 H15 UNL 1 1.346 -0.443 -0.536 1.00 0.00 H HETATM 46 H16 UNL 1 1.749 -2.526 1.726 1.00 0.00 H HETATM 47 H17 UNL 1 1.036 -0.862 2.015 1.00 0.00 H HETATM 48 H18 UNL 1 -0.334 0.431 0.693 1.00 0.00 H HETATM 49 H19 UNL 1 -0.985 0.005 2.349 1.00 0.00 H HETATM 50 H20 UNL 1 -2.205 1.812 1.307 1.00 0.00 H HETATM 51 H21 UNL 1 -3.176 0.340 1.624 1.00 0.00 H HETATM 52 H22 UNL 1 -3.746 0.933 -2.919 1.00 0.00 H HETATM 53 H23 UNL 1 -5.882 1.862 -3.644 1.00 0.00 H HETATM 54 H24 UNL 1 -8.491 2.377 -2.146 1.00 0.00 H HETATM 55 H25 UNL 1 -6.863 2.978 0.304 1.00 0.00 H HETATM 56 H26 UNL 1 -5.237 2.405 2.099 1.00 0.00 H HETATM 57 H27 UNL 1 -3.412 -1.316 0.467 1.00 0.00 H HETATM 58 H28 UNL 1 -3.607 -3.673 -0.023 1.00 0.00 H HETATM 59 H29 UNL 1 -0.881 -6.119 0.087 1.00 0.00 H HETATM 60 H30 UNL 1 1.732 -4.358 0.969 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 4 4 CONECT 3 34 35 36 CONECT 4 5 37 CONECT 5 6 38 39 CONECT 6 7 40 41 CONECT 7 8 9 9 CONECT 8 42 43 44 CONECT 9 10 45 CONECT 10 11 46 47 CONECT 11 12 12 29 CONECT 12 13 25 CONECT 13 14 48 49 CONECT 14 15 50 51 CONECT 15 16 16 17 CONECT 17 18 18 23 CONECT 18 19 52 CONECT 19 20 20 53 CONECT 20 21 22 CONECT 21 54 CONECT 22 23 23 55 CONECT 23 24 CONECT 24 56 CONECT 25 26 26 57 CONECT 26 27 58 CONECT 27 28 29 29 CONECT 28 59 CONECT 29 30 CONECT 30 60 END