COMPND HMDB0014831 HETATM 1 O1 UNL 1 -2.047 0.219 3.476 1.00 0.00 O HETATM 2 C1 UNL 1 -1.565 0.078 2.326 1.00 0.00 C HETATM 3 O2 UNL 1 -0.292 0.412 1.945 1.00 0.00 O HETATM 4 C2 UNL 1 -0.080 0.119 0.564 1.00 0.00 C HETATM 5 C3 UNL 1 1.034 -0.837 0.500 1.00 0.00 C HETATM 6 C4 UNL 1 0.875 -2.055 1.169 1.00 0.00 C HETATM 7 C5 UNL 1 1.830 -3.033 1.191 1.00 0.00 C HETATM 8 C6 UNL 1 3.008 -2.798 0.515 1.00 0.00 C HETATM 9 O3 UNL 1 3.994 -3.751 0.510 1.00 0.00 O HETATM 10 C7 UNL 1 3.188 -1.594 -0.157 1.00 0.00 C HETATM 11 C8 UNL 1 2.215 -0.609 -0.174 1.00 0.00 C HETATM 12 O4 UNL 1 2.385 0.585 -0.837 1.00 0.00 O HETATM 13 C9 UNL 1 1.411 1.577 -0.857 1.00 0.00 C HETATM 14 C10 UNL 1 1.642 2.770 -1.548 1.00 0.00 C HETATM 15 C11 UNL 1 0.700 3.775 -1.589 1.00 0.00 C HETATM 16 O5 UNL 1 0.960 4.950 -2.285 1.00 0.00 O HETATM 17 C12 UNL 1 -0.485 3.559 -0.919 1.00 0.00 C HETATM 18 C13 UNL 1 -0.716 2.382 -0.236 1.00 0.00 C HETATM 19 C14 UNL 1 0.225 1.365 -0.188 1.00 0.00 C HETATM 20 C15 UNL 1 -1.354 -0.447 0.075 1.00 0.00 C HETATM 21 C16 UNL 1 -1.807 -0.922 -1.134 1.00 0.00 C HETATM 22 C17 UNL 1 -3.101 -1.397 -1.257 1.00 0.00 C HETATM 23 C18 UNL 1 -3.968 -1.407 -0.175 1.00 0.00 C HETATM 24 C19 UNL 1 -3.527 -0.936 1.029 1.00 0.00 C HETATM 25 C20 UNL 1 -2.226 -0.461 1.143 1.00 0.00 C HETATM 26 H1 UNL 1 -0.055 -2.250 1.707 1.00 0.00 H HETATM 27 H2 UNL 1 1.699 -3.973 1.711 1.00 0.00 H HETATM 28 H3 UNL 1 4.694 -3.720 1.254 1.00 0.00 H HETATM 29 H4 UNL 1 4.094 -1.384 -0.691 1.00 0.00 H HETATM 30 H5 UNL 1 2.576 2.920 -2.065 1.00 0.00 H HETATM 31 H6 UNL 1 1.405 5.737 -1.801 1.00 0.00 H HETATM 32 H7 UNL 1 -1.248 4.331 -0.932 1.00 0.00 H HETATM 33 H8 UNL 1 -1.662 2.210 0.299 1.00 0.00 H HETATM 34 H9 UNL 1 -1.144 -0.929 -2.012 1.00 0.00 H HETATM 35 H10 UNL 1 -3.487 -1.778 -2.197 1.00 0.00 H HETATM 36 H11 UNL 1 -4.982 -1.777 -0.266 1.00 0.00 H HETATM 37 H12 UNL 1 -4.188 -0.930 1.906 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 25 CONECT 3 4 CONECT 4 5 19 20 CONECT 5 6 6 11 CONECT 6 7 26 CONECT 7 8 8 27 CONECT 8 9 10 CONECT 9 28 CONECT 10 11 11 29 CONECT 11 12 CONECT 12 13 CONECT 13 14 14 19 CONECT 14 15 30 CONECT 15 16 17 17 CONECT 16 31 CONECT 17 18 32 CONECT 18 19 19 33 CONECT 20 21 21 25 CONECT 21 22 34 CONECT 22 23 23 35 CONECT 23 24 36 CONECT 24 25 25 37 END