COMPND HMDB0034037 HETATM 1 C1 UNL 1 -4.274 1.827 -2.670 1.00 0.00 C HETATM 2 C2 UNL 1 -3.534 1.452 -1.432 1.00 0.00 C HETATM 3 C3 UNL 1 -3.767 2.169 -0.288 1.00 0.00 C HETATM 4 C4 UNL 1 -3.068 1.809 0.877 1.00 0.00 C HETATM 5 O1 UNL 1 -3.348 2.562 1.971 1.00 0.00 O HETATM 6 C5 UNL 1 -2.180 0.746 0.798 1.00 0.00 C HETATM 7 C6 UNL 1 -1.966 0.051 -0.366 1.00 0.00 C HETATM 8 C7 UNL 1 -2.655 0.406 -1.502 1.00 0.00 C HETATM 9 C8 UNL 1 -0.978 -1.027 -0.509 1.00 0.00 C HETATM 10 C9 UNL 1 0.222 -0.481 -1.319 1.00 0.00 C HETATM 11 C10 UNL 1 1.119 -1.575 -1.685 1.00 0.00 C HETATM 12 C11 UNL 1 0.686 -2.517 -2.655 1.00 0.00 C HETATM 13 C12 UNL 1 1.426 -3.611 -2.977 1.00 0.00 C HETATM 14 C13 UNL 1 2.632 -3.821 -2.350 1.00 0.00 C HETATM 15 C14 UNL 1 3.078 -2.926 -1.409 1.00 0.00 C HETATM 16 O2 UNL 1 4.282 -3.082 -0.744 1.00 0.00 O HETATM 17 C15 UNL 1 2.312 -1.789 -1.076 1.00 0.00 C HETATM 18 C16 UNL 1 2.879 -0.792 -0.176 1.00 0.00 C HETATM 19 O3 UNL 1 3.960 -1.058 0.350 1.00 0.00 O HETATM 20 C17 UNL 1 2.094 0.430 0.006 1.00 0.00 C HETATM 21 C18 UNL 1 2.717 1.444 0.744 1.00 0.00 C HETATM 22 O4 UNL 1 3.904 1.311 1.404 1.00 0.00 O HETATM 23 C19 UNL 1 2.107 2.703 0.837 1.00 0.00 C HETATM 24 C20 UNL 1 0.925 2.906 0.206 1.00 0.00 C HETATM 25 C21 UNL 1 0.279 4.263 0.310 1.00 0.00 C HETATM 26 O5 UNL 1 1.040 5.114 1.082 1.00 0.00 O HETATM 27 C22 UNL 1 0.335 1.889 -0.511 1.00 0.00 C HETATM 28 C23 UNL 1 0.892 0.613 -0.636 1.00 0.00 C HETATM 29 C24 UNL 1 -0.521 -1.616 0.763 1.00 0.00 C HETATM 30 C25 UNL 1 0.150 -2.795 0.828 1.00 0.00 C HETATM 31 C26 UNL 1 0.629 -3.290 2.019 1.00 0.00 C HETATM 32 C27 UNL 1 0.461 -2.633 3.204 1.00 0.00 C HETATM 33 C28 UNL 1 -0.234 -1.409 3.177 1.00 0.00 C HETATM 34 O6 UNL 1 -0.371 -0.800 4.378 1.00 0.00 O HETATM 35 C29 UNL 1 -0.715 -0.921 1.964 1.00 0.00 C HETATM 36 C30 UNL 1 -1.540 0.270 2.019 1.00 0.00 C HETATM 37 O7 UNL 1 -1.716 0.896 3.077 1.00 0.00 O HETATM 38 H1 UNL 1 -4.959 2.681 -2.499 1.00 0.00 H HETATM 39 H2 UNL 1 -4.809 0.909 -3.005 1.00 0.00 H HETATM 40 H3 UNL 1 -3.558 2.117 -3.457 1.00 0.00 H HETATM 41 H4 UNL 1 -4.474 3.001 -0.263 1.00 0.00 H HETATM 42 H5 UNL 1 -3.034 2.553 2.869 1.00 0.00 H HETATM 43 H6 UNL 1 -2.513 -0.130 -2.455 1.00 0.00 H HETATM 44 H7 UNL 1 -1.417 -1.817 -1.129 1.00 0.00 H HETATM 45 H8 UNL 1 -0.235 -0.084 -2.250 1.00 0.00 H HETATM 46 H9 UNL 1 -0.260 -2.298 -3.107 1.00 0.00 H HETATM 47 H10 UNL 1 1.065 -4.332 -3.738 1.00 0.00 H HETATM 48 H11 UNL 1 3.236 -4.693 -2.594 1.00 0.00 H HETATM 49 H12 UNL 1 4.929 -3.822 -0.864 1.00 0.00 H HETATM 50 H13 UNL 1 4.550 0.615 1.542 1.00 0.00 H HETATM 51 H14 UNL 1 2.587 3.503 1.413 1.00 0.00 H HETATM 52 H15 UNL 1 -0.743 4.165 0.712 1.00 0.00 H HETATM 53 H16 UNL 1 0.254 4.646 -0.737 1.00 0.00 H HETATM 54 H17 UNL 1 1.139 4.813 2.004 1.00 0.00 H HETATM 55 H18 UNL 1 -0.571 2.121 -1.012 1.00 0.00 H HETATM 56 H19 UNL 1 0.313 -3.411 -0.028 1.00 0.00 H HETATM 57 H20 UNL 1 1.174 -4.248 2.063 1.00 0.00 H HETATM 58 H21 UNL 1 0.834 -3.013 4.139 1.00 0.00 H HETATM 59 H22 UNL 1 -0.767 0.008 4.687 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 3 8 CONECT 3 4 41 CONECT 4 5 6 6 CONECT 5 42 CONECT 6 7 36 CONECT 7 8 8 9 CONECT 8 43 CONECT 9 10 29 44 CONECT 10 11 28 45 CONECT 11 12 12 17 CONECT 12 13 46 CONECT 13 14 14 47 CONECT 14 15 48 CONECT 15 16 17 17 CONECT 16 49 CONECT 17 18 CONECT 18 19 19 20 CONECT 20 21 21 28 CONECT 21 22 23 CONECT 22 50 CONECT 23 24 24 51 CONECT 24 25 27 CONECT 25 26 52 53 CONECT 26 54 CONECT 27 28 28 55 CONECT 29 30 30 35 CONECT 30 31 56 CONECT 31 32 32 57 CONECT 32 33 58 CONECT 33 34 35 35 CONECT 34 59 CONECT 35 36 CONECT 36 37 37 END