COMPND HMDB0240249 HETATM 1 C1 UNL 1 3.391 -3.527 -0.047 1.00 0.00 C HETATM 2 C2 UNL 1 4.120 -2.346 -0.615 1.00 0.00 C HETATM 3 O1 UNL 1 4.076 -1.237 0.241 1.00 0.00 O HETATM 4 C3 UNL 1 2.884 -0.677 0.611 1.00 0.00 C HETATM 5 C4 UNL 1 2.186 -1.056 1.733 1.00 0.00 C HETATM 6 N1 UNL 1 2.674 -2.067 2.602 1.00 0.00 N HETATM 7 C5 UNL 1 0.975 -0.443 2.048 1.00 0.00 C HETATM 8 C6 UNL 1 0.469 0.530 1.240 1.00 0.00 C HETATM 9 C7 UNL 1 1.186 0.924 0.094 1.00 0.00 C HETATM 10 O2 UNL 1 0.664 1.893 -0.675 1.00 0.00 O HETATM 11 C8 UNL 1 0.675 3.255 -0.688 1.00 0.00 C HETATM 12 C9 UNL 1 1.969 3.979 -0.804 1.00 0.00 C HETATM 13 C10 UNL 1 2.386 0.332 -0.230 1.00 0.00 C HETATM 14 O3 UNL 1 3.093 0.702 -1.354 1.00 0.00 O HETATM 15 C11 UNL 1 4.255 1.497 -1.384 1.00 0.00 C HETATM 16 C12 UNL 1 4.744 1.722 -2.801 1.00 0.00 C HETATM 17 C13 UNL 1 -0.933 0.792 1.764 1.00 0.00 C HETATM 18 C14 UNL 1 -1.763 -0.358 1.321 1.00 0.00 C HETATM 19 C15 UNL 1 -2.301 -0.418 -0.033 1.00 0.00 C HETATM 20 C16 UNL 1 -2.671 -1.746 -0.350 1.00 0.00 C HETATM 21 C17 UNL 1 -3.200 -2.104 -1.553 1.00 0.00 C HETATM 22 C18 UNL 1 -3.390 -1.119 -2.519 1.00 0.00 C HETATM 23 C19 UNL 1 -3.042 0.195 -2.239 1.00 0.00 C HETATM 24 C20 UNL 1 -2.497 0.519 -0.980 1.00 0.00 C HETATM 25 O4 UNL 1 -2.197 1.853 -0.794 1.00 0.00 O HETATM 26 C21 UNL 1 -3.214 2.709 -0.268 1.00 0.00 C HETATM 27 O5 UNL 1 -3.346 0.918 -3.372 1.00 0.00 O HETATM 28 C22 UNL 1 -4.197 0.152 -4.231 1.00 0.00 C HETATM 29 O6 UNL 1 -3.894 -1.169 -3.810 1.00 0.00 O HETATM 30 C23 UNL 1 -2.519 -2.709 0.794 1.00 0.00 C HETATM 31 C24 UNL 1 -3.084 -2.106 2.081 1.00 0.00 C HETATM 32 N2 UNL 1 -2.953 -0.659 2.096 1.00 0.00 N HETATM 33 C25 UNL 1 -3.102 -0.035 3.335 1.00 0.00 C HETATM 34 O7 UNL 1 -0.741 0.497 3.143 1.00 0.00 O HETATM 35 C26 UNL 1 0.189 -0.488 3.290 1.00 0.00 C HETATM 36 O8 UNL 1 0.389 -1.294 4.246 1.00 0.00 O HETATM 37 H1 UNL 1 3.406 -4.399 -0.765 1.00 0.00 H HETATM 38 H2 UNL 1 2.320 -3.334 0.147 1.00 0.00 H HETATM 39 H3 UNL 1 3.876 -3.893 0.873 1.00 0.00 H HETATM 40 H4 UNL 1 5.168 -2.680 -0.816 1.00 0.00 H HETATM 41 H5 UNL 1 3.695 -2.110 -1.615 1.00 0.00 H HETATM 42 H6 UNL 1 3.519 -1.857 3.198 1.00 0.00 H HETATM 43 H7 UNL 1 2.223 -3.010 2.669 1.00 0.00 H HETATM 44 H8 UNL 1 0.073 3.577 -1.605 1.00 0.00 H HETATM 45 H9 UNL 1 0.033 3.693 0.147 1.00 0.00 H HETATM 46 H10 UNL 1 1.816 5.104 -0.836 1.00 0.00 H HETATM 47 H11 UNL 1 2.622 3.852 0.094 1.00 0.00 H HETATM 48 H12 UNL 1 2.526 3.761 -1.715 1.00 0.00 H HETATM 49 H13 UNL 1 5.065 0.817 -0.937 1.00 0.00 H HETATM 50 H14 UNL 1 4.267 2.372 -0.745 1.00 0.00 H HETATM 51 H15 UNL 1 5.295 0.846 -3.181 1.00 0.00 H HETATM 52 H16 UNL 1 5.412 2.592 -2.815 1.00 0.00 H HETATM 53 H17 UNL 1 3.901 1.946 -3.492 1.00 0.00 H HETATM 54 H18 UNL 1 -1.275 1.786 1.668 1.00 0.00 H HETATM 55 H19 UNL 1 -1.074 -1.230 1.471 1.00 0.00 H HETATM 56 H20 UNL 1 -3.477 -3.138 -1.778 1.00 0.00 H HETATM 57 H21 UNL 1 -3.699 3.290 -1.089 1.00 0.00 H HETATM 58 H22 UNL 1 -3.994 2.120 0.249 1.00 0.00 H HETATM 59 H23 UNL 1 -2.797 3.411 0.482 1.00 0.00 H HETATM 60 H24 UNL 1 -5.254 0.396 -3.938 1.00 0.00 H HETATM 61 H25 UNL 1 -4.001 0.330 -5.289 1.00 0.00 H HETATM 62 H26 UNL 1 -1.506 -3.073 0.867 1.00 0.00 H HETATM 63 H27 UNL 1 -3.172 -3.602 0.601 1.00 0.00 H HETATM 64 H28 UNL 1 -2.419 -2.477 2.899 1.00 0.00 H HETATM 65 H29 UNL 1 -4.097 -2.445 2.300 1.00 0.00 H HETATM 66 H30 UNL 1 -4.191 -0.143 3.639 1.00 0.00 H HETATM 67 H31 UNL 1 -2.982 1.057 3.216 1.00 0.00 H HETATM 68 H32 UNL 1 -2.561 -0.468 4.201 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 40 41 CONECT 3 4 CONECT 4 5 5 13 CONECT 5 6 7 CONECT 6 42 43 CONECT 7 8 8 35 CONECT 8 9 17 CONECT 9 10 13 13 CONECT 10 11 CONECT 11 12 44 45 CONECT 12 46 47 48 CONECT 13 14 CONECT 14 15 CONECT 15 16 49 50 CONECT 16 51 52 53 CONECT 17 18 34 54 CONECT 18 19 32 55 CONECT 19 20 24 24 CONECT 20 21 21 30 CONECT 21 22 56 CONECT 22 23 23 29 CONECT 23 24 27 CONECT 24 25 CONECT 25 26 CONECT 26 57 58 59 CONECT 27 28 CONECT 28 29 60 61 CONECT 30 31 62 63 CONECT 31 32 64 65 CONECT 32 33 CONECT 33 66 67 68 CONECT 34 35 CONECT 35 36 36 END