COMPND HMDB0302299 HETATM 1 C1 UNL 1 -6.439 -3.296 -2.740 1.00 0.00 C HETATM 2 O1 UNL 1 -6.303 -1.907 -2.779 1.00 0.00 O HETATM 3 C2 UNL 1 -5.814 -1.109 -1.793 1.00 0.00 C HETATM 4 C3 UNL 1 -5.374 -1.612 -0.586 1.00 0.00 C HETATM 5 C4 UNL 1 -4.886 -0.714 0.374 1.00 0.00 C HETATM 6 C5 UNL 1 -4.417 -1.218 1.665 1.00 0.00 C HETATM 7 C6 UNL 1 -2.958 -1.624 1.646 1.00 0.00 C HETATM 8 C7 UNL 1 -2.622 -2.106 3.037 1.00 0.00 C HETATM 9 O2 UNL 1 -2.255 -0.938 3.735 1.00 0.00 O HETATM 10 C8 UNL 1 -2.067 0.122 2.863 1.00 0.00 C HETATM 11 O3 UNL 1 -1.961 1.352 3.167 1.00 0.00 O HETATM 12 C9 UNL 1 -2.013 -0.461 1.501 1.00 0.00 C HETATM 13 C10 UNL 1 -0.628 -1.000 1.291 1.00 0.00 C HETATM 14 C11 UNL 1 0.397 0.035 1.121 1.00 0.00 C HETATM 15 C12 UNL 1 1.023 0.507 2.254 1.00 0.00 C HETATM 16 C13 UNL 1 1.987 1.472 2.198 1.00 0.00 C HETATM 17 O4 UNL 1 2.610 1.939 3.345 1.00 0.00 O HETATM 18 C14 UNL 1 2.222 1.386 4.598 1.00 0.00 C HETATM 19 C15 UNL 1 2.339 1.986 0.959 1.00 0.00 C HETATM 20 O5 UNL 1 3.314 2.971 0.845 1.00 0.00 O HETATM 21 C16 UNL 1 1.747 1.552 -0.207 1.00 0.00 C HETATM 22 C17 UNL 1 2.131 2.127 -1.524 1.00 0.00 C HETATM 23 C18 UNL 1 1.563 1.409 -2.698 1.00 0.00 C HETATM 24 O6 UNL 1 2.021 2.075 -3.851 1.00 0.00 O HETATM 25 C19 UNL 1 3.589 2.311 -1.666 1.00 0.00 C HETATM 26 O7 UNL 1 4.040 3.485 -1.938 1.00 0.00 O HETATM 27 C20 UNL 1 4.592 1.276 -1.525 1.00 0.00 C HETATM 28 C21 UNL 1 5.929 1.588 -1.694 1.00 0.00 C HETATM 29 C22 UNL 1 6.932 0.634 -1.560 1.00 0.00 C HETATM 30 C23 UNL 1 6.606 -0.666 -1.251 1.00 0.00 C HETATM 31 O8 UNL 1 7.623 -1.629 -1.116 1.00 0.00 O HETATM 32 C24 UNL 1 5.291 -1.002 -1.078 1.00 0.00 C HETATM 33 O9 UNL 1 4.978 -2.325 -0.765 1.00 0.00 O HETATM 34 C25 UNL 1 3.650 -2.739 -0.574 1.00 0.00 C HETATM 35 C26 UNL 1 4.319 -0.034 -1.217 1.00 0.00 C HETATM 36 C27 UNL 1 0.771 0.567 -0.090 1.00 0.00 C HETATM 37 C28 UNL 1 -4.848 0.636 0.118 1.00 0.00 C HETATM 38 C29 UNL 1 -5.293 1.157 -1.104 1.00 0.00 C HETATM 39 C30 UNL 1 -5.768 0.261 -2.034 1.00 0.00 C HETATM 40 O10 UNL 1 -6.217 0.733 -3.255 1.00 0.00 O HETATM 41 H1 UNL 1 -6.154 -3.787 -1.804 1.00 0.00 H HETATM 42 H2 UNL 1 -5.826 -3.753 -3.572 1.00 0.00 H HETATM 43 H3 UNL 1 -7.492 -3.589 -3.002 1.00 0.00 H HETATM 44 H4 UNL 1 -5.386 -2.663 -0.345 1.00 0.00 H HETATM 45 H5 UNL 1 -5.008 -2.119 1.926 1.00 0.00 H HETATM 46 H6 UNL 1 -4.557 -0.483 2.477 1.00 0.00 H HETATM 47 H7 UNL 1 -2.768 -2.413 0.880 1.00 0.00 H HETATM 48 H8 UNL 1 -1.791 -2.855 3.020 1.00 0.00 H HETATM 49 H9 UNL 1 -3.530 -2.589 3.508 1.00 0.00 H HETATM 50 H10 UNL 1 -2.326 0.253 0.720 1.00 0.00 H HETATM 51 H11 UNL 1 -0.330 -1.651 2.137 1.00 0.00 H HETATM 52 H12 UNL 1 -0.623 -1.638 0.381 1.00 0.00 H HETATM 53 H13 UNL 1 0.769 0.122 3.243 1.00 0.00 H HETATM 54 H14 UNL 1 1.170 1.596 4.852 1.00 0.00 H HETATM 55 H15 UNL 1 2.843 1.912 5.371 1.00 0.00 H HETATM 56 H16 UNL 1 2.369 0.301 4.623 1.00 0.00 H HETATM 57 H17 UNL 1 3.819 3.369 1.625 1.00 0.00 H HETATM 58 H18 UNL 1 1.669 3.159 -1.549 1.00 0.00 H HETATM 59 H19 UNL 1 0.455 1.501 -2.729 1.00 0.00 H HETATM 60 H20 UNL 1 1.875 0.357 -2.821 1.00 0.00 H HETATM 61 H21 UNL 1 1.890 1.523 -4.662 1.00 0.00 H HETATM 62 H22 UNL 1 6.246 2.603 -1.941 1.00 0.00 H HETATM 63 H23 UNL 1 7.963 0.921 -1.700 1.00 0.00 H HETATM 64 H24 UNL 1 7.385 -2.581 -0.888 1.00 0.00 H HETATM 65 H25 UNL 1 3.614 -3.858 -0.606 1.00 0.00 H HETATM 66 H26 UNL 1 2.958 -2.354 -1.339 1.00 0.00 H HETATM 67 H27 UNL 1 3.288 -2.440 0.437 1.00 0.00 H HETATM 68 H28 UNL 1 3.298 -0.349 -1.070 1.00 0.00 H HETATM 69 H29 UNL 1 0.299 0.215 -0.970 1.00 0.00 H HETATM 70 H30 UNL 1 -4.467 1.286 0.891 1.00 0.00 H HETATM 71 H31 UNL 1 -5.250 2.225 -1.271 1.00 0.00 H HETATM 72 H32 UNL 1 -6.210 1.703 -3.491 1.00 0.00 H CONECT 1 2 41 42 43 CONECT 2 3 CONECT 3 4 4 39 CONECT 4 5 44 CONECT 5 6 37 37 CONECT 6 7 45 46 CONECT 7 8 12 47 CONECT 8 9 48 49 CONECT 9 10 CONECT 10 11 11 12 CONECT 12 13 50 CONECT 13 14 51 52 CONECT 14 15 15 36 CONECT 15 16 53 CONECT 16 17 19 19 CONECT 17 18 CONECT 18 54 55 56 CONECT 19 20 21 CONECT 20 57 CONECT 21 22 36 36 CONECT 22 23 25 58 CONECT 23 24 59 60 CONECT 24 61 CONECT 25 26 26 27 CONECT 27 28 28 35 CONECT 28 29 62 CONECT 29 30 30 63 CONECT 30 31 32 CONECT 31 64 CONECT 32 33 35 35 CONECT 33 34 CONECT 34 65 66 67 CONECT 35 68 CONECT 36 69 CONECT 37 38 70 CONECT 38 39 39 71 CONECT 39 40 CONECT 40 72 END