COMPND HMDB0029452 HETATM 1 N1 UNL 1 5.258 -0.415 0.570 1.00 0.00 N HETATM 2 C1 UNL 1 4.669 0.083 -0.633 1.00 0.00 C HETATM 3 C2 UNL 1 3.900 1.369 -0.424 1.00 0.00 C HETATM 4 C3 UNL 1 2.792 1.200 0.545 1.00 0.00 C HETATM 5 C4 UNL 1 2.994 1.411 1.890 1.00 0.00 C HETATM 6 C5 UNL 1 1.985 1.261 2.811 1.00 0.00 C HETATM 7 C6 UNL 1 0.722 0.892 2.428 1.00 0.00 C HETATM 8 O1 UNL 1 -0.315 0.737 3.367 1.00 0.00 O HETATM 9 C7 UNL 1 0.488 0.670 1.062 1.00 0.00 C HETATM 10 O2 UNL 1 -0.796 0.301 0.729 1.00 0.00 O HETATM 11 C8 UNL 1 -1.312 0.019 -0.536 1.00 0.00 C HETATM 12 O3 UNL 1 -1.716 -1.287 -0.625 1.00 0.00 O HETATM 13 C9 UNL 1 -2.924 -1.615 -0.131 1.00 0.00 C HETATM 14 C10 UNL 1 -3.668 -2.422 -1.208 1.00 0.00 C HETATM 15 O4 UNL 1 -3.799 -1.644 -2.331 1.00 0.00 O HETATM 16 C11 UNL 1 -3.795 -0.564 0.402 1.00 0.00 C HETATM 17 O5 UNL 1 -5.137 -0.898 0.095 1.00 0.00 O HETATM 18 C12 UNL 1 -3.563 0.823 -0.056 1.00 0.00 C HETATM 19 O6 UNL 1 -3.389 1.714 1.029 1.00 0.00 O HETATM 20 C13 UNL 1 -2.380 1.003 -0.962 1.00 0.00 C HETATM 21 O7 UNL 1 -1.856 2.282 -0.786 1.00 0.00 O HETATM 22 C14 UNL 1 1.517 0.827 0.161 1.00 0.00 C HETATM 23 C15 UNL 1 3.873 -0.967 -1.272 1.00 0.00 C HETATM 24 O8 UNL 1 3.271 -0.741 -2.339 1.00 0.00 O HETATM 25 O9 UNL 1 3.777 -2.222 -0.703 1.00 0.00 O HETATM 26 H1 UNL 1 6.221 -0.121 0.745 1.00 0.00 H HETATM 27 H2 UNL 1 5.037 -1.394 0.787 1.00 0.00 H HETATM 28 H3 UNL 1 5.520 0.352 -1.325 1.00 0.00 H HETATM 29 H4 UNL 1 3.575 1.746 -1.396 1.00 0.00 H HETATM 30 H5 UNL 1 4.612 2.101 0.016 1.00 0.00 H HETATM 31 H6 UNL 1 3.978 1.702 2.218 1.00 0.00 H HETATM 32 H7 UNL 1 2.169 1.434 3.876 1.00 0.00 H HETATM 33 H8 UNL 1 -1.205 0.468 3.020 1.00 0.00 H HETATM 34 H9 UNL 1 -0.499 0.142 -1.275 1.00 0.00 H HETATM 35 H10 UNL 1 -2.752 -2.382 0.685 1.00 0.00 H HETATM 36 H11 UNL 1 -4.679 -2.652 -0.810 1.00 0.00 H HETATM 37 H12 UNL 1 -3.154 -3.386 -1.390 1.00 0.00 H HETATM 38 H13 UNL 1 -4.616 -1.067 -2.191 1.00 0.00 H HETATM 39 H14 UNL 1 -3.774 -0.562 1.533 1.00 0.00 H HETATM 40 H15 UNL 1 -5.542 -1.452 0.809 1.00 0.00 H HETATM 41 H16 UNL 1 -4.450 1.250 -0.613 1.00 0.00 H HETATM 42 H17 UNL 1 -3.339 1.161 1.867 1.00 0.00 H HETATM 43 H18 UNL 1 -2.634 0.827 -2.015 1.00 0.00 H HETATM 44 H19 UNL 1 -0.883 2.306 -1.012 1.00 0.00 H HETATM 45 H20 UNL 1 1.354 0.660 -0.896 1.00 0.00 H HETATM 46 H21 UNL 1 4.463 -2.948 -0.804 1.00 0.00 H CONECT 1 2 26 27 CONECT 2 3 23 28 CONECT 3 4 29 30 CONECT 4 5 5 22 CONECT 5 6 31 CONECT 6 7 7 32 CONECT 7 8 9 CONECT 8 33 CONECT 9 10 22 22 CONECT 10 11 CONECT 11 12 20 34 CONECT 12 13 CONECT 13 14 16 35 CONECT 14 15 36 37 CONECT 15 38 CONECT 16 17 18 39 CONECT 17 40 CONECT 18 19 20 41 CONECT 19 42 CONECT 20 21 43 CONECT 21 44 CONECT 22 45 CONECT 23 24 24 25 CONECT 25 46 END