COMPND HMDB0039267 HETATM 1 O1 UNL 1 -8.444 -1.537 1.879 1.00 0.00 O HETATM 2 C1 UNL 1 -7.683 -1.101 0.984 1.00 0.00 C HETATM 3 O2 UNL 1 -7.908 -1.456 -0.335 1.00 0.00 O HETATM 4 C2 UNL 1 -6.561 -0.226 1.288 1.00 0.00 C HETATM 5 C3 UNL 1 -6.335 0.130 2.607 1.00 0.00 C HETATM 6 C4 UNL 1 -5.283 0.956 2.933 1.00 0.00 C HETATM 7 O3 UNL 1 -5.068 1.306 4.260 1.00 0.00 O HETATM 8 C5 UNL 1 -4.440 1.438 1.930 1.00 0.00 C HETATM 9 O4 UNL 1 -3.394 2.267 2.311 1.00 0.00 O HETATM 10 C6 UNL 1 -4.648 1.095 0.617 1.00 0.00 C HETATM 11 O5 UNL 1 -3.792 1.591 -0.352 1.00 0.00 O HETATM 12 C7 UNL 1 -3.938 1.292 -1.695 1.00 0.00 C HETATM 13 C8 UNL 1 -3.288 0.188 -2.202 1.00 0.00 C HETATM 14 C9 UNL 1 -2.471 -0.624 -1.316 1.00 0.00 C HETATM 15 O6 UNL 1 -1.849 -1.646 -1.704 1.00 0.00 O HETATM 16 O7 UNL 1 -2.344 -0.294 0.025 1.00 0.00 O HETATM 17 C10 UNL 1 -1.572 -1.042 0.912 1.00 0.00 C HETATM 18 C11 UNL 1 -0.132 -1.113 0.544 1.00 0.00 C HETATM 19 C12 UNL 1 0.685 -2.010 1.212 1.00 0.00 C HETATM 20 C13 UNL 1 2.037 -2.137 0.934 1.00 0.00 C HETATM 21 O8 UNL 1 2.838 -3.052 1.625 1.00 0.00 O HETATM 22 C14 UNL 1 2.596 -1.343 -0.046 1.00 0.00 C HETATM 23 O9 UNL 1 3.942 -1.473 -0.319 1.00 0.00 O HETATM 24 C15 UNL 1 4.952 -0.728 0.333 1.00 0.00 C HETATM 25 O10 UNL 1 5.710 -1.568 1.148 1.00 0.00 O HETATM 26 C16 UNL 1 6.727 -0.922 1.799 1.00 0.00 C HETATM 27 C17 UNL 1 6.239 0.182 2.736 1.00 0.00 C HETATM 28 O11 UNL 1 7.328 0.793 3.372 1.00 0.00 O HETATM 29 C18 UNL 1 7.736 -0.338 0.843 1.00 0.00 C HETATM 30 O12 UNL 1 8.981 -0.961 0.982 1.00 0.00 O HETATM 31 C19 UNL 1 7.228 -0.517 -0.564 1.00 0.00 C HETATM 32 O13 UNL 1 8.063 0.064 -1.487 1.00 0.00 O HETATM 33 C20 UNL 1 5.814 0.063 -0.609 1.00 0.00 C HETATM 34 O14 UNL 1 5.382 -0.009 -1.944 1.00 0.00 O HETATM 35 C21 UNL 1 1.816 -0.444 -0.728 1.00 0.00 C HETATM 36 O15 UNL 1 2.332 0.381 -1.726 1.00 0.00 O HETATM 37 C22 UNL 1 0.455 -0.335 -0.428 1.00 0.00 C HETATM 38 C23 UNL 1 -3.455 -0.080 -3.543 1.00 0.00 C HETATM 39 C24 UNL 1 -4.235 0.701 -4.381 1.00 0.00 C HETATM 40 O16 UNL 1 -4.380 0.397 -5.730 1.00 0.00 O HETATM 41 C25 UNL 1 -4.876 1.811 -3.821 1.00 0.00 C HETATM 42 O17 UNL 1 -5.645 2.569 -4.681 1.00 0.00 O HETATM 43 C26 UNL 1 -4.726 2.103 -2.484 1.00 0.00 C HETATM 44 O18 UNL 1 -5.370 3.205 -1.959 1.00 0.00 O HETATM 45 C27 UNL 1 -5.714 0.266 0.342 1.00 0.00 C HETATM 46 H1 UNL 1 -8.254 -0.726 -0.971 1.00 0.00 H HETATM 47 H2 UNL 1 -6.982 -0.233 3.415 1.00 0.00 H HETATM 48 H3 UNL 1 -4.293 1.915 4.503 1.00 0.00 H HETATM 49 H4 UNL 1 -2.777 2.621 1.591 1.00 0.00 H HETATM 50 H5 UNL 1 -1.981 -2.067 1.090 1.00 0.00 H HETATM 51 H6 UNL 1 -1.616 -0.538 1.913 1.00 0.00 H HETATM 52 H7 UNL 1 0.238 -2.628 1.978 1.00 0.00 H HETATM 53 H8 UNL 1 2.380 -3.609 2.332 1.00 0.00 H HETATM 54 H9 UNL 1 4.423 -0.019 1.000 1.00 0.00 H HETATM 55 H10 UNL 1 7.266 -1.697 2.412 1.00 0.00 H HETATM 56 H11 UNL 1 5.783 0.984 2.111 1.00 0.00 H HETATM 57 H12 UNL 1 5.517 -0.259 3.436 1.00 0.00 H HETATM 58 H13 UNL 1 7.631 1.612 2.882 1.00 0.00 H HETATM 59 H14 UNL 1 7.847 0.747 1.042 1.00 0.00 H HETATM 60 H15 UNL 1 8.806 -1.815 1.472 1.00 0.00 H HETATM 61 H16 UNL 1 7.104 -1.617 -0.721 1.00 0.00 H HETATM 62 H17 UNL 1 7.718 0.977 -1.725 1.00 0.00 H HETATM 63 H18 UNL 1 5.845 1.135 -0.350 1.00 0.00 H HETATM 64 H19 UNL 1 5.626 -0.871 -2.367 1.00 0.00 H HETATM 65 H20 UNL 1 1.759 1.030 -2.215 1.00 0.00 H HETATM 66 H21 UNL 1 -0.168 0.383 -0.969 1.00 0.00 H HETATM 67 H22 UNL 1 -2.931 -0.965 -3.937 1.00 0.00 H HETATM 68 H23 UNL 1 -4.955 0.994 -6.292 1.00 0.00 H HETATM 69 H24 UNL 1 -6.154 3.393 -4.388 1.00 0.00 H HETATM 70 H25 UNL 1 -5.258 3.417 -0.975 1.00 0.00 H HETATM 71 H26 UNL 1 -5.885 -0.007 -0.686 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 46 CONECT 4 5 5 45 CONECT 5 6 47 CONECT 6 7 8 8 CONECT 7 48 CONECT 8 9 10 CONECT 9 49 CONECT 10 11 45 45 CONECT 11 12 CONECT 12 13 43 43 CONECT 13 14 38 38 CONECT 14 15 15 16 CONECT 16 17 CONECT 17 18 50 51 CONECT 18 19 19 37 CONECT 19 20 52 CONECT 20 21 22 22 CONECT 21 53 CONECT 22 23 35 CONECT 23 24 CONECT 24 25 33 54 CONECT 25 26 CONECT 26 27 29 55 CONECT 27 28 56 57 CONECT 28 58 CONECT 29 30 31 59 CONECT 30 60 CONECT 31 32 33 61 CONECT 32 62 CONECT 33 34 63 CONECT 34 64 CONECT 35 36 37 37 CONECT 36 65 CONECT 37 66 CONECT 38 39 67 CONECT 39 40 41 41 CONECT 40 68 CONECT 41 42 43 CONECT 42 69 CONECT 43 44 CONECT 44 70 CONECT 45 71 END