COMPND HMDB0302244 HETATM 1 O1 UNL 1 1.452 4.528 -0.723 1.00 0.00 O HETATM 2 C1 UNL 1 0.499 3.716 -0.794 1.00 0.00 C HETATM 3 C2 UNL 1 -0.816 4.144 -0.691 1.00 0.00 C HETATM 4 C3 UNL 1 -1.905 3.311 -0.759 1.00 0.00 C HETATM 5 C4 UNL 1 -3.277 3.826 -0.645 1.00 0.00 C HETATM 6 C5 UNL 1 -4.363 2.965 -0.754 1.00 0.00 C HETATM 7 C6 UNL 1 -5.668 3.404 -0.647 1.00 0.00 C HETATM 8 C7 UNL 1 -5.924 4.726 -0.426 1.00 0.00 C HETATM 9 O2 UNL 1 -7.223 5.238 -0.306 1.00 0.00 O HETATM 10 C8 UNL 1 -4.874 5.615 -0.311 1.00 0.00 C HETATM 11 C9 UNL 1 -3.584 5.139 -0.424 1.00 0.00 C HETATM 12 O3 UNL 1 -1.658 2.036 -0.932 1.00 0.00 O HETATM 13 C10 UNL 1 -0.445 1.552 -1.037 1.00 0.00 C HETATM 14 C11 UNL 1 -0.348 0.182 -1.217 1.00 0.00 C HETATM 15 O4 UNL 1 -1.466 -0.592 -1.274 1.00 0.00 O HETATM 16 C12 UNL 1 -2.184 -1.183 -0.238 1.00 0.00 C HETATM 17 O5 UNL 1 -1.981 -2.581 -0.308 1.00 0.00 O HETATM 18 C13 UNL 1 -2.651 -3.221 0.735 1.00 0.00 C HETATM 19 C14 UNL 1 -2.365 -4.699 0.616 1.00 0.00 C HETATM 20 O6 UNL 1 -2.997 -5.425 1.623 1.00 0.00 O HETATM 21 C15 UNL 1 -4.169 -3.056 0.572 1.00 0.00 C HETATM 22 O7 UNL 1 -4.651 -2.287 1.632 1.00 0.00 O HETATM 23 C16 UNL 1 -4.340 -2.251 -0.697 1.00 0.00 C HETATM 24 O8 UNL 1 -3.616 -2.889 -1.713 1.00 0.00 O HETATM 25 C17 UNL 1 -3.649 -0.905 -0.445 1.00 0.00 C HETATM 26 O9 UNL 1 -4.244 -0.284 0.643 1.00 0.00 O HETATM 27 C18 UNL 1 0.929 -0.363 -1.335 1.00 0.00 C HETATM 28 O10 UNL 1 1.082 -1.730 -1.523 1.00 0.00 O HETATM 29 C19 UNL 1 2.053 0.427 -1.274 1.00 0.00 C HETATM 30 O11 UNL 1 3.315 -0.128 -1.391 1.00 0.00 O HETATM 31 C20 UNL 1 4.105 -0.582 -0.307 1.00 0.00 C HETATM 32 O12 UNL 1 5.241 0.184 -0.141 1.00 0.00 O HETATM 33 C21 UNL 1 5.782 0.030 1.136 1.00 0.00 C HETATM 34 C22 UNL 1 6.998 0.912 1.314 1.00 0.00 C HETATM 35 O13 UNL 1 7.958 0.557 0.365 1.00 0.00 O HETATM 36 C23 UNL 1 6.071 -1.424 1.432 1.00 0.00 C HETATM 37 O14 UNL 1 5.363 -1.894 2.528 1.00 0.00 O HETATM 38 C24 UNL 1 5.797 -2.294 0.226 1.00 0.00 C HETATM 39 O15 UNL 1 6.869 -2.240 -0.696 1.00 0.00 O HETATM 40 C25 UNL 1 4.480 -2.016 -0.413 1.00 0.00 C HETATM 41 O16 UNL 1 3.470 -2.856 0.061 1.00 0.00 O HETATM 42 C26 UNL 1 1.957 1.820 -1.091 1.00 0.00 C HETATM 43 O17 UNL 1 3.087 2.571 -1.036 1.00 0.00 O HETATM 44 C27 UNL 1 0.704 2.367 -0.974 1.00 0.00 C HETATM 45 H1 UNL 1 -0.971 5.207 -0.550 1.00 0.00 H HETATM 46 H2 UNL 1 -4.123 1.930 -0.932 1.00 0.00 H HETATM 47 H3 UNL 1 -6.488 2.703 -0.736 1.00 0.00 H HETATM 48 H4 UNL 1 -8.034 4.660 -0.376 1.00 0.00 H HETATM 49 H5 UNL 1 -5.087 6.675 -0.135 1.00 0.00 H HETATM 50 H6 UNL 1 -2.802 5.864 -0.328 1.00 0.00 H HETATM 51 H7 UNL 1 -1.850 -0.818 0.767 1.00 0.00 H HETATM 52 H8 UNL 1 -2.312 -2.893 1.723 1.00 0.00 H HETATM 53 H9 UNL 1 -2.729 -5.030 -0.376 1.00 0.00 H HETATM 54 H10 UNL 1 -1.277 -4.915 0.657 1.00 0.00 H HETATM 55 H11 UNL 1 -3.876 -5.765 1.333 1.00 0.00 H HETATM 56 H12 UNL 1 -4.690 -4.018 0.541 1.00 0.00 H HETATM 57 H13 UNL 1 -5.614 -2.101 1.529 1.00 0.00 H HETATM 58 H14 UNL 1 -5.404 -2.118 -0.972 1.00 0.00 H HETATM 59 H15 UNL 1 -4.028 -3.751 -1.953 1.00 0.00 H HETATM 60 H16 UNL 1 -3.807 -0.342 -1.406 1.00 0.00 H HETATM 61 H17 UNL 1 -5.146 -0.000 0.349 1.00 0.00 H HETATM 62 H18 UNL 1 0.294 -2.322 -1.595 1.00 0.00 H HETATM 63 H19 UNL 1 3.467 -0.418 0.607 1.00 0.00 H HETATM 64 H20 UNL 1 5.017 0.372 1.858 1.00 0.00 H HETATM 65 H21 UNL 1 6.699 1.969 1.189 1.00 0.00 H HETATM 66 H22 UNL 1 7.432 0.713 2.313 1.00 0.00 H HETATM 67 H23 UNL 1 8.691 1.210 0.318 1.00 0.00 H HETATM 68 H24 UNL 1 7.150 -1.513 1.663 1.00 0.00 H HETATM 69 H25 UNL 1 5.974 -2.406 3.139 1.00 0.00 H HETATM 70 H26 UNL 1 5.787 -3.348 0.590 1.00 0.00 H HETATM 71 H27 UNL 1 7.687 -2.311 -0.132 1.00 0.00 H HETATM 72 H28 UNL 1 4.553 -2.248 -1.518 1.00 0.00 H HETATM 73 H29 UNL 1 3.421 -2.838 1.065 1.00 0.00 H HETATM 74 H30 UNL 1 3.251 3.502 -0.922 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 44 CONECT 3 4 4 45 CONECT 4 5 12 CONECT 5 6 6 11 CONECT 6 7 46 CONECT 7 8 8 47 CONECT 8 9 10 CONECT 9 48 CONECT 10 11 11 49 CONECT 11 50 CONECT 12 13 CONECT 13 14 14 44 CONECT 14 15 27 CONECT 15 16 CONECT 16 17 25 51 CONECT 17 18 CONECT 18 19 21 52 CONECT 19 20 53 54 CONECT 20 55 CONECT 21 22 23 56 CONECT 22 57 CONECT 23 24 25 58 CONECT 24 59 CONECT 25 26 60 CONECT 26 61 CONECT 27 28 29 29 CONECT 28 62 CONECT 29 30 42 CONECT 30 31 CONECT 31 32 40 63 CONECT 32 33 CONECT 33 34 36 64 CONECT 34 35 65 66 CONECT 35 67 CONECT 36 37 38 68 CONECT 37 69 CONECT 38 39 40 70 CONECT 39 71 CONECT 40 41 72 CONECT 41 73 CONECT 42 43 44 44 CONECT 43 74 END