COMPND HMDB0033770 HETATM 1 C1 UNL 1 -5.141 4.210 3.837 1.00 0.00 C HETATM 2 O1 UNL 1 -4.069 3.494 3.327 1.00 0.00 O HETATM 3 C2 UNL 1 -4.074 2.521 2.364 1.00 0.00 C HETATM 4 C3 UNL 1 -2.895 1.921 1.989 1.00 0.00 C HETATM 5 C4 UNL 1 -2.831 0.912 1.004 1.00 0.00 C HETATM 6 O2 UNL 1 -1.686 0.407 0.716 1.00 0.00 O HETATM 7 C5 UNL 1 -0.534 -0.103 0.425 1.00 0.00 C HETATM 8 O3 UNL 1 0.425 0.776 -0.144 1.00 0.00 O HETATM 9 C6 UNL 1 1.707 0.381 0.100 1.00 0.00 C HETATM 10 C7 UNL 1 2.674 0.859 -0.993 1.00 0.00 C HETATM 11 O4 UNL 1 3.934 0.399 -0.615 1.00 0.00 O HETATM 12 C8 UNL 1 4.924 0.738 -1.506 1.00 0.00 C HETATM 13 O5 UNL 1 5.843 1.579 -0.854 1.00 0.00 O HETATM 14 C9 UNL 1 6.388 0.956 0.247 1.00 0.00 C HETATM 15 C10 UNL 1 7.388 -0.077 -0.269 1.00 0.00 C HETATM 16 O6 UNL 1 8.065 -0.699 0.771 1.00 0.00 O HETATM 17 C11 UNL 1 6.559 -1.106 -1.018 1.00 0.00 C HETATM 18 O7 UNL 1 7.469 -1.916 -1.722 1.00 0.00 O HETATM 19 C12 UNL 1 5.682 -0.434 -2.048 1.00 0.00 C HETATM 20 O8 UNL 1 6.510 0.012 -3.076 1.00 0.00 O HETATM 21 C13 UNL 1 1.928 -1.102 0.202 1.00 0.00 C HETATM 22 O9 UNL 1 1.821 -1.777 -0.986 1.00 0.00 O HETATM 23 C14 UNL 1 1.094 -1.707 1.316 1.00 0.00 C HETATM 24 O10 UNL 1 1.847 -2.036 2.433 1.00 0.00 O HETATM 25 C15 UNL 1 0.112 -0.646 1.727 1.00 0.00 C HETATM 26 O11 UNL 1 -0.943 -1.144 2.490 1.00 0.00 O HETATM 27 C16 UNL 1 -4.031 0.543 0.416 1.00 0.00 C HETATM 28 C17 UNL 1 -4.064 -0.433 -0.557 1.00 0.00 C HETATM 29 O12 UNL 1 -3.014 -1.011 -0.934 1.00 0.00 O HETATM 30 C18 UNL 1 -5.280 -0.772 -1.120 1.00 0.00 C HETATM 31 C19 UNL 1 -5.320 -1.761 -2.107 1.00 0.00 C HETATM 32 C20 UNL 1 -6.519 -2.099 -2.665 1.00 0.00 C HETATM 33 O13 UNL 1 -6.583 -3.081 -3.649 1.00 0.00 O HETATM 34 C21 UNL 1 -7.683 -1.477 -2.266 1.00 0.00 C HETATM 35 C22 UNL 1 -7.626 -0.505 -1.293 1.00 0.00 C HETATM 36 C23 UNL 1 -6.414 -0.147 -0.712 1.00 0.00 C HETATM 37 O14 UNL 1 -6.334 0.767 0.208 1.00 0.00 O HETATM 38 C24 UNL 1 -5.218 1.136 0.781 1.00 0.00 C HETATM 39 C25 UNL 1 -5.246 2.133 1.762 1.00 0.00 C HETATM 40 H1 UNL 1 -6.141 3.805 3.620 1.00 0.00 H HETATM 41 H2 UNL 1 -5.089 5.239 3.386 1.00 0.00 H HETATM 42 H3 UNL 1 -5.044 4.407 4.945 1.00 0.00 H HETATM 43 H4 UNL 1 -1.990 2.244 2.477 1.00 0.00 H HETATM 44 H5 UNL 1 -0.482 -0.996 -0.275 1.00 0.00 H HETATM 45 H6 UNL 1 2.074 0.866 1.031 1.00 0.00 H HETATM 46 H7 UNL 1 2.715 1.967 -1.022 1.00 0.00 H HETATM 47 H8 UNL 1 2.442 0.429 -1.973 1.00 0.00 H HETATM 48 H9 UNL 1 4.501 1.308 -2.361 1.00 0.00 H HETATM 49 H10 UNL 1 6.978 1.695 0.832 1.00 0.00 H HETATM 50 H11 UNL 1 5.643 0.443 0.889 1.00 0.00 H HETATM 51 H12 UNL 1 8.094 0.393 -0.958 1.00 0.00 H HETATM 52 H13 UNL 1 9.038 -0.488 0.783 1.00 0.00 H HETATM 53 H14 UNL 1 5.998 -1.735 -0.307 1.00 0.00 H HETATM 54 H15 UNL 1 7.116 -2.827 -1.856 1.00 0.00 H HETATM 55 H16 UNL 1 4.950 -1.176 -2.432 1.00 0.00 H HETATM 56 H17 UNL 1 6.704 -0.736 -3.706 1.00 0.00 H HETATM 57 H18 UNL 1 3.000 -1.230 0.536 1.00 0.00 H HETATM 58 H19 UNL 1 1.395 -1.297 -1.723 1.00 0.00 H HETATM 59 H20 UNL 1 0.524 -2.552 0.898 1.00 0.00 H HETATM 60 H21 UNL 1 2.209 -2.951 2.287 1.00 0.00 H HETATM 61 H22 UNL 1 0.566 0.213 2.239 1.00 0.00 H HETATM 62 H23 UNL 1 -0.519 -1.736 3.175 1.00 0.00 H HETATM 63 H24 UNL 1 -4.397 -2.229 -2.400 1.00 0.00 H HETATM 64 H25 UNL 1 -5.797 -3.579 -3.996 1.00 0.00 H HETATM 65 H26 UNL 1 -8.643 -1.759 -2.725 1.00 0.00 H HETATM 66 H27 UNL 1 -8.520 -0.004 -0.963 1.00 0.00 H HETATM 67 H28 UNL 1 -6.193 2.573 2.022 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 CONECT 3 4 4 39 CONECT 4 5 43 CONECT 5 6 27 27 CONECT 6 7 CONECT 7 8 25 44 CONECT 8 9 CONECT 9 10 21 45 CONECT 10 11 46 47 CONECT 11 12 CONECT 12 13 19 48 CONECT 13 14 CONECT 14 15 49 50 CONECT 15 16 17 51 CONECT 16 52 CONECT 17 18 19 53 CONECT 18 54 CONECT 19 20 55 CONECT 20 56 CONECT 21 22 23 57 CONECT 22 58 CONECT 23 24 25 59 CONECT 24 60 CONECT 25 26 61 CONECT 26 62 CONECT 27 28 38 CONECT 28 29 29 30 CONECT 30 31 31 36 CONECT 31 32 63 CONECT 32 33 34 34 CONECT 33 64 CONECT 34 35 65 CONECT 35 36 36 66 CONECT 36 37 CONECT 37 38 CONECT 38 39 39 CONECT 39 67 END