COMPND HMDB0257261 HETATM 1 C1 UNL 1 -2.689 0.010 3.356 1.00 0.00 C HETATM 2 N1 UNL 1 -2.767 0.156 1.904 1.00 0.00 N HETATM 3 C2 UNL 1 -2.150 -0.638 0.975 1.00 0.00 C HETATM 4 C3 UNL 1 -2.443 -0.206 -0.293 1.00 0.00 C HETATM 5 C4 UNL 1 -2.024 -0.694 -1.608 1.00 0.00 C HETATM 6 C5 UNL 1 -0.805 -0.984 -2.020 1.00 0.00 C HETATM 7 C6 UNL 1 0.482 -0.917 -1.316 1.00 0.00 C HETATM 8 C7 UNL 1 1.502 0.014 -1.416 1.00 0.00 C HETATM 9 N2 UNL 1 2.545 -0.342 -0.639 1.00 0.00 N HETATM 10 C8 UNL 1 3.817 0.388 -0.498 1.00 0.00 C HETATM 11 C9 UNL 1 3.801 1.357 0.647 1.00 0.00 C HETATM 12 C10 UNL 1 5.169 2.014 0.668 1.00 0.00 C HETATM 13 N3 UNL 1 5.313 2.976 1.731 1.00 0.00 N HETATM 14 C11 UNL 1 2.241 -1.491 -0.025 1.00 0.00 C HETATM 15 C12 UNL 1 2.942 -2.275 0.852 1.00 0.00 C HETATM 16 C13 UNL 1 2.381 -3.462 1.347 1.00 0.00 C HETATM 17 C14 UNL 1 1.134 -3.844 0.959 1.00 0.00 C HETATM 18 C15 UNL 1 0.434 -3.038 0.069 1.00 0.00 C HETATM 19 C16 UNL 1 0.972 -1.860 -0.431 1.00 0.00 C HETATM 20 C17 UNL 1 -0.864 -1.465 -3.426 1.00 0.00 C HETATM 21 O1 UNL 1 0.126 -1.819 -4.108 1.00 0.00 O HETATM 22 N4 UNL 1 -2.212 -1.449 -3.839 1.00 0.00 N HETATM 23 C18 UNL 1 -2.944 -0.979 -2.735 1.00 0.00 C HETATM 24 O2 UNL 1 -4.174 -0.821 -2.686 1.00 0.00 O HETATM 25 C19 UNL 1 -3.281 0.906 -0.103 1.00 0.00 C HETATM 26 C20 UNL 1 -3.916 1.795 -0.941 1.00 0.00 C HETATM 27 C21 UNL 1 -4.708 2.847 -0.493 1.00 0.00 C HETATM 28 C22 UNL 1 -4.857 2.997 0.867 1.00 0.00 C HETATM 29 C23 UNL 1 -4.235 2.126 1.742 1.00 0.00 C HETATM 30 C24 UNL 1 -3.458 1.098 1.259 1.00 0.00 C HETATM 31 H1 UNL 1 -3.647 -0.476 3.685 1.00 0.00 H HETATM 32 H2 UNL 1 -1.885 -0.702 3.614 1.00 0.00 H HETATM 33 H3 UNL 1 -2.549 0.997 3.853 1.00 0.00 H HETATM 34 H4 UNL 1 -1.537 -1.470 1.212 1.00 0.00 H HETATM 35 H5 UNL 1 1.417 0.888 -2.047 1.00 0.00 H HETATM 36 H6 UNL 1 3.941 0.984 -1.426 1.00 0.00 H HETATM 37 H7 UNL 1 4.655 -0.330 -0.460 1.00 0.00 H HETATM 38 H8 UNL 1 3.730 0.767 1.610 1.00 0.00 H HETATM 39 H9 UNL 1 2.991 2.078 0.582 1.00 0.00 H HETATM 40 H10 UNL 1 5.908 1.198 0.840 1.00 0.00 H HETATM 41 H11 UNL 1 5.408 2.463 -0.315 1.00 0.00 H HETATM 42 H12 UNL 1 4.490 2.995 2.374 1.00 0.00 H HETATM 43 H13 UNL 1 6.211 2.822 2.241 1.00 0.00 H HETATM 44 H14 UNL 1 3.936 -2.055 1.215 1.00 0.00 H HETATM 45 H15 UNL 1 2.916 -4.097 2.040 1.00 0.00 H HETATM 46 H16 UNL 1 0.631 -4.755 1.301 1.00 0.00 H HETATM 47 H17 UNL 1 -0.562 -3.330 -0.249 1.00 0.00 H HETATM 48 H18 UNL 1 -2.523 -1.743 -4.789 1.00 0.00 H HETATM 49 H19 UNL 1 -3.787 1.689 -2.010 1.00 0.00 H HETATM 50 H20 UNL 1 -5.195 3.527 -1.180 1.00 0.00 H HETATM 51 H21 UNL 1 -5.481 3.830 1.191 1.00 0.00 H HETATM 52 H22 UNL 1 -4.402 2.316 2.792 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 30 CONECT 3 4 4 34 CONECT 4 5 25 CONECT 5 6 6 23 CONECT 6 7 20 CONECT 7 8 8 19 CONECT 8 9 35 CONECT 9 10 14 CONECT 10 11 36 37 CONECT 11 12 38 39 CONECT 12 13 40 41 CONECT 13 42 43 CONECT 14 15 15 19 CONECT 15 16 44 CONECT 16 17 17 45 CONECT 17 18 46 CONECT 18 19 19 47 CONECT 20 21 21 22 CONECT 22 23 48 CONECT 23 24 24 CONECT 25 26 26 30 CONECT 26 27 49 CONECT 27 28 28 50 CONECT 28 29 51 CONECT 29 30 30 52 END