COMPND HMDB0039171 HETATM 1 C1 UNL 1 -0.605 2.694 1.816 1.00 0.00 C HETATM 2 C2 UNL 1 -0.629 1.823 0.846 1.00 0.00 C HETATM 3 C3 UNL 1 0.400 0.770 0.630 1.00 0.00 C HETATM 4 O1 UNL 1 1.565 0.962 1.342 1.00 0.00 O HETATM 5 C4 UNL 1 2.809 1.076 0.782 1.00 0.00 C HETATM 6 O2 UNL 1 2.891 0.999 -0.475 1.00 0.00 O HETATM 7 C5 UNL 1 4.037 1.282 1.580 1.00 0.00 C HETATM 8 C6 UNL 1 4.777 -0.057 1.696 1.00 0.00 C HETATM 9 C7 UNL 1 6.022 0.182 2.511 1.00 0.00 C HETATM 10 C8 UNL 1 5.094 -0.585 0.314 1.00 0.00 C HETATM 11 C9 UNL 1 -0.333 -0.489 0.973 1.00 0.00 C HETATM 12 C10 UNL 1 -1.579 -0.724 0.162 1.00 0.00 C HETATM 13 C11 UNL 1 -2.488 -1.473 1.170 1.00 0.00 C HETATM 14 C12 UNL 1 -3.830 -1.826 0.603 1.00 0.00 C HETATM 15 C13 UNL 1 -1.855 -2.829 1.513 1.00 0.00 C HETATM 16 C14 UNL 1 -2.237 0.419 -0.459 1.00 0.00 C HETATM 17 C15 UNL 1 -1.692 1.804 -0.143 1.00 0.00 C HETATM 18 C16 UNL 1 -1.041 2.338 -1.433 1.00 0.00 C HETATM 19 C17 UNL 1 -1.082 1.159 -2.319 1.00 0.00 C HETATM 20 O3 UNL 1 -0.283 0.803 -3.125 1.00 0.00 O HETATM 21 C18 UNL 1 -2.402 0.560 -1.909 1.00 0.00 C HETATM 22 C19 UNL 1 -2.916 -0.431 -2.814 1.00 0.00 C HETATM 23 C20 UNL 1 -2.175 -1.734 -2.939 1.00 0.00 C HETATM 24 O4 UNL 1 -2.877 0.117 -4.129 1.00 0.00 O HETATM 25 H1 UNL 1 0.239 2.646 2.527 1.00 0.00 H HETATM 26 H2 UNL 1 -1.387 3.424 1.901 1.00 0.00 H HETATM 27 H3 UNL 1 0.666 0.727 -0.451 1.00 0.00 H HETATM 28 H4 UNL 1 3.837 1.708 2.573 1.00 0.00 H HETATM 29 H5 UNL 1 4.737 1.971 1.029 1.00 0.00 H HETATM 30 H6 UNL 1 4.119 -0.786 2.234 1.00 0.00 H HETATM 31 H7 UNL 1 5.791 0.975 3.238 1.00 0.00 H HETATM 32 H8 UNL 1 6.825 0.495 1.793 1.00 0.00 H HETATM 33 H9 UNL 1 6.340 -0.716 3.086 1.00 0.00 H HETATM 34 H10 UNL 1 6.118 -1.027 0.367 1.00 0.00 H HETATM 35 H11 UNL 1 5.121 0.236 -0.429 1.00 0.00 H HETATM 36 H12 UNL 1 4.392 -1.372 -0.003 1.00 0.00 H HETATM 37 H13 UNL 1 -0.677 -0.330 2.043 1.00 0.00 H HETATM 38 H14 UNL 1 0.371 -1.342 0.917 1.00 0.00 H HETATM 39 H15 UNL 1 -1.277 -1.538 -0.569 1.00 0.00 H HETATM 40 H16 UNL 1 -2.523 -0.890 2.097 1.00 0.00 H HETATM 41 H17 UNL 1 -4.579 -1.230 1.214 1.00 0.00 H HETATM 42 H18 UNL 1 -4.142 -2.876 0.778 1.00 0.00 H HETATM 43 H19 UNL 1 -3.965 -1.635 -0.456 1.00 0.00 H HETATM 44 H20 UNL 1 -2.623 -3.352 2.122 1.00 0.00 H HETATM 45 H21 UNL 1 -0.963 -2.739 2.123 1.00 0.00 H HETATM 46 H22 UNL 1 -1.733 -3.439 0.589 1.00 0.00 H HETATM 47 H23 UNL 1 -3.326 0.396 -0.046 1.00 0.00 H HETATM 48 H24 UNL 1 -2.539 2.459 0.124 1.00 0.00 H HETATM 49 H25 UNL 1 -1.758 3.082 -1.890 1.00 0.00 H HETATM 50 H26 UNL 1 -0.053 2.760 -1.274 1.00 0.00 H HETATM 51 H27 UNL 1 -3.093 1.481 -2.006 1.00 0.00 H HETATM 52 H28 UNL 1 -4.012 -0.586 -2.664 1.00 0.00 H HETATM 53 H29 UNL 1 -1.086 -1.624 -2.882 1.00 0.00 H HETATM 54 H30 UNL 1 -2.349 -2.205 -3.950 1.00 0.00 H HETATM 55 H31 UNL 1 -2.627 -2.459 -2.239 1.00 0.00 H HETATM 56 H32 UNL 1 -3.416 0.945 -4.061 1.00 0.00 H CONECT 1 2 2 25 26 CONECT 2 3 17 CONECT 3 4 11 27 CONECT 4 5 CONECT 5 6 6 7 CONECT 7 8 28 29 CONECT 8 9 10 30 CONECT 9 31 32 33 CONECT 10 34 35 36 CONECT 11 12 37 38 CONECT 12 13 16 39 CONECT 13 14 15 40 CONECT 14 41 42 43 CONECT 15 44 45 46 CONECT 16 17 21 47 CONECT 17 18 48 CONECT 18 19 49 50 CONECT 19 20 20 21 CONECT 21 22 51 CONECT 22 23 24 52 CONECT 23 53 54 55 CONECT 24 56 END