COMPND HMDB0030388 HETATM 1 C1 UNL 1 5.279 0.056 -1.016 1.00 0.00 C HETATM 2 C2 UNL 1 5.073 0.275 0.419 1.00 0.00 C HETATM 3 C3 UNL 1 4.493 -0.622 1.193 1.00 0.00 C HETATM 4 C4 UNL 1 4.029 -1.891 0.616 1.00 0.00 C HETATM 5 N1 UNL 1 2.618 -2.072 0.797 1.00 0.00 N HETATM 6 C5 UNL 1 1.630 -1.195 0.317 1.00 0.00 C HETATM 7 N2 UNL 1 1.920 -0.069 -0.375 1.00 0.00 N HETATM 8 C6 UNL 1 0.975 0.771 -0.833 1.00 0.00 C HETATM 9 N3 UNL 1 -0.331 0.532 -0.623 1.00 0.00 N HETATM 10 C7 UNL 1 -0.690 -0.579 0.063 1.00 0.00 C HETATM 11 C8 UNL 1 0.279 -1.437 0.531 1.00 0.00 C HETATM 12 N4 UNL 1 -0.328 -2.449 1.170 1.00 0.00 N HETATM 13 C9 UNL 1 -1.646 -2.202 1.087 1.00 0.00 C HETATM 14 N5 UNL 1 -1.874 -1.061 0.413 1.00 0.00 N HETATM 15 C10 UNL 1 -3.175 -0.530 0.158 1.00 0.00 C HETATM 16 O1 UNL 1 -3.183 0.493 -0.777 1.00 0.00 O HETATM 17 C11 UNL 1 -4.434 1.063 -0.703 1.00 0.00 C HETATM 18 C12 UNL 1 -5.344 0.290 -1.664 1.00 0.00 C HETATM 19 O2 UNL 1 -4.834 0.392 -2.942 1.00 0.00 O HETATM 20 C13 UNL 1 -4.942 0.875 0.711 1.00 0.00 C HETATM 21 O3 UNL 1 -5.250 2.075 1.332 1.00 0.00 O HETATM 22 C14 UNL 1 -3.753 0.190 1.370 1.00 0.00 C HETATM 23 O4 UNL 1 -2.797 1.116 1.784 1.00 0.00 O HETATM 24 C15 UNL 1 5.543 1.571 1.033 1.00 0.00 C HETATM 25 O5 UNL 1 6.930 1.705 0.851 1.00 0.00 O HETATM 26 H1 UNL 1 4.419 -0.338 -1.572 1.00 0.00 H HETATM 27 H2 UNL 1 6.179 -0.622 -1.105 1.00 0.00 H HETATM 28 H3 UNL 1 5.515 1.038 -1.492 1.00 0.00 H HETATM 29 H4 UNL 1 4.376 -0.391 2.248 1.00 0.00 H HETATM 30 H5 UNL 1 4.322 -2.023 -0.445 1.00 0.00 H HETATM 31 H6 UNL 1 4.597 -2.704 1.155 1.00 0.00 H HETATM 32 H7 UNL 1 2.289 -2.923 1.330 1.00 0.00 H HETATM 33 H8 UNL 1 1.261 1.676 -1.392 1.00 0.00 H HETATM 34 H9 UNL 1 -2.378 -2.881 1.533 1.00 0.00 H HETATM 35 H10 UNL 1 -3.905 -1.334 -0.104 1.00 0.00 H HETATM 36 H11 UNL 1 -4.460 2.140 -0.912 1.00 0.00 H HETATM 37 H12 UNL 1 -6.367 0.707 -1.581 1.00 0.00 H HETATM 38 H13 UNL 1 -5.400 -0.778 -1.375 1.00 0.00 H HETATM 39 H14 UNL 1 -5.515 0.774 -3.525 1.00 0.00 H HETATM 40 H15 UNL 1 -5.775 0.143 0.733 1.00 0.00 H HETATM 41 H16 UNL 1 -6.133 2.360 0.983 1.00 0.00 H HETATM 42 H17 UNL 1 -4.051 -0.501 2.165 1.00 0.00 H HETATM 43 H18 UNL 1 -2.680 1.766 1.030 1.00 0.00 H HETATM 44 H19 UNL 1 4.980 2.388 0.538 1.00 0.00 H HETATM 45 H20 UNL 1 5.384 1.547 2.136 1.00 0.00 H HETATM 46 H21 UNL 1 7.152 2.662 0.719 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 3 24 CONECT 3 4 29 CONECT 4 5 30 31 CONECT 5 6 32 CONECT 6 7 7 11 CONECT 7 8 CONECT 8 9 9 33 CONECT 9 10 CONECT 10 11 11 14 CONECT 11 12 CONECT 12 13 13 CONECT 13 14 34 CONECT 14 15 CONECT 15 16 22 35 CONECT 16 17 CONECT 17 18 20 36 CONECT 18 19 37 38 CONECT 19 39 CONECT 20 21 22 40 CONECT 21 41 CONECT 22 23 42 CONECT 23 43 CONECT 24 25 44 45 CONECT 25 46 END