COMPND HMDB0015219 HETATM 1 C1 UNL 1 2.069 2.392 -2.401 1.00 0.00 C HETATM 2 O1 UNL 1 3.061 1.602 -1.759 1.00 0.00 O HETATM 3 C2 UNL 1 2.683 0.638 -0.846 1.00 0.00 C HETATM 4 C3 UNL 1 1.362 0.382 -0.504 1.00 0.00 C HETATM 5 C4 UNL 1 1.021 -0.582 0.407 1.00 0.00 C HETATM 6 N1 UNL 1 -0.328 -0.804 0.731 1.00 0.00 N HETATM 7 C5 UNL 1 -1.432 -0.088 0.108 1.00 0.00 C HETATM 8 C6 UNL 1 -1.467 -0.417 -1.339 1.00 0.00 C HETATM 9 C7 UNL 1 -2.682 -0.429 0.859 1.00 0.00 C HETATM 10 C8 UNL 1 -3.911 0.242 0.324 1.00 0.00 C HETATM 11 C9 UNL 1 -3.766 1.748 0.386 1.00 0.00 C HETATM 12 N2 UNL 1 -4.945 2.403 -0.126 1.00 0.00 N HETATM 13 C10 UNL 1 2.016 -1.316 0.997 1.00 0.00 C HETATM 14 N3 UNL 1 1.761 -2.286 1.906 1.00 0.00 N HETATM 15 C11 UNL 1 2.734 -3.005 2.484 1.00 0.00 C HETATM 16 C12 UNL 1 4.066 -2.804 2.192 1.00 0.00 C HETATM 17 C13 UNL 1 4.348 -1.822 1.270 1.00 0.00 C HETATM 18 C14 UNL 1 3.328 -1.078 0.673 1.00 0.00 C HETATM 19 C15 UNL 1 3.662 -0.109 -0.241 1.00 0.00 C HETATM 20 H1 UNL 1 1.532 1.727 -3.097 1.00 0.00 H HETATM 21 H2 UNL 1 2.525 3.226 -2.957 1.00 0.00 H HETATM 22 H3 UNL 1 1.364 2.848 -1.670 1.00 0.00 H HETATM 23 H4 UNL 1 0.617 0.987 -0.990 1.00 0.00 H HETATM 24 H5 UNL 1 -0.526 -1.543 1.476 1.00 0.00 H HETATM 25 H6 UNL 1 -1.179 1.004 0.191 1.00 0.00 H HETATM 26 H7 UNL 1 -0.559 -0.987 -1.611 1.00 0.00 H HETATM 27 H8 UNL 1 -2.316 -1.086 -1.615 1.00 0.00 H HETATM 28 H9 UNL 1 -1.472 0.482 -2.020 1.00 0.00 H HETATM 29 H10 UNL 1 -2.834 -1.526 0.886 1.00 0.00 H HETATM 30 H11 UNL 1 -2.539 -0.114 1.913 1.00 0.00 H HETATM 31 H12 UNL 1 -4.775 -0.016 0.970 1.00 0.00 H HETATM 32 H13 UNL 1 -4.174 -0.057 -0.695 1.00 0.00 H HETATM 33 H14 UNL 1 -3.702 2.006 1.477 1.00 0.00 H HETATM 34 H15 UNL 1 -2.858 2.111 -0.140 1.00 0.00 H HETATM 35 H16 UNL 1 -4.630 3.265 -0.628 1.00 0.00 H HETATM 36 H17 UNL 1 -5.532 1.770 -0.684 1.00 0.00 H HETATM 37 H18 UNL 1 2.513 -3.790 3.221 1.00 0.00 H HETATM 38 H19 UNL 1 4.871 -3.382 2.655 1.00 0.00 H HETATM 39 H20 UNL 1 5.380 -1.638 1.017 1.00 0.00 H HETATM 40 H21 UNL 1 4.714 0.044 -0.468 1.00 0.00 H CONECT 1 2 20 21 22 CONECT 2 3 CONECT 3 4 4 19 CONECT 4 5 23 CONECT 5 6 13 13 CONECT 6 7 24 CONECT 7 8 9 25 CONECT 8 26 27 28 CONECT 9 10 29 30 CONECT 10 11 31 32 CONECT 11 12 33 34 CONECT 12 35 36 CONECT 13 14 18 CONECT 14 15 15 CONECT 15 16 37 CONECT 16 17 17 38 CONECT 17 18 39 CONECT 18 19 19 CONECT 19 40 END