COMPND HMDB0304868 HETATM 1 C1 UNL 1 4.251 2.767 0.939 1.00 0.00 C HETATM 2 C2 UNL 1 3.623 1.495 0.488 1.00 0.00 C HETATM 3 C3 UNL 1 2.271 1.393 0.397 1.00 0.00 C HETATM 4 C4 UNL 1 1.655 0.202 -0.027 1.00 0.00 C HETATM 5 N1 UNL 1 0.235 0.162 -0.068 1.00 0.00 N HETATM 6 C5 UNL 1 -0.446 -0.708 -0.925 1.00 0.00 C HETATM 7 N2 UNL 1 0.184 -1.510 -1.801 1.00 0.00 N HETATM 8 C6 UNL 1 -0.448 -2.334 -2.655 1.00 0.00 C HETATM 9 N3 UNL 1 -1.790 -2.404 -2.681 1.00 0.00 N HETATM 10 C7 UNL 1 -2.497 -1.639 -1.841 1.00 0.00 C HETATM 11 C8 UNL 1 -3.896 -1.709 -1.863 1.00 0.00 C HETATM 12 C9 UNL 1 -4.578 -0.909 -0.985 1.00 0.00 C HETATM 13 C10 UNL 1 -3.936 -0.063 -0.107 1.00 0.00 C HETATM 14 N4 UNL 1 -4.674 0.750 0.788 1.00 0.00 N HETATM 15 C11 UNL 1 -6.115 0.725 0.816 1.00 0.00 C HETATM 16 N5 UNL 1 -6.820 -0.243 1.284 1.00 0.00 N HETATM 17 C12 UNL 1 -8.243 0.026 1.172 1.00 0.00 C HETATM 18 C13 UNL 1 -8.946 -1.172 0.611 1.00 0.00 C HETATM 19 C14 UNL 1 -8.796 0.428 2.513 1.00 0.00 C HETATM 20 C15 UNL 1 -8.305 1.224 0.239 1.00 0.00 C HETATM 21 O1 UNL 1 -6.981 1.708 0.359 1.00 0.00 O HETATM 22 C16 UNL 1 -2.549 -0.000 -0.093 1.00 0.00 C HETATM 23 C17 UNL 1 -1.844 -0.786 -0.957 1.00 0.00 C HETATM 24 C18 UNL 1 2.472 -0.851 -0.344 1.00 0.00 C HETATM 25 C19 UNL 1 3.860 -0.719 -0.243 1.00 0.00 C HETATM 26 C20 UNL 1 4.484 0.428 0.166 1.00 0.00 C HETATM 27 O2 UNL 1 5.771 0.620 0.284 1.00 0.00 O HETATM 28 C21 UNL 1 6.995 0.170 0.185 1.00 0.00 C HETATM 29 C22 UNL 1 7.346 -1.097 -0.224 1.00 0.00 C HETATM 30 C23 UNL 1 8.689 -1.427 -0.279 1.00 0.00 C HETATM 31 N6 UNL 1 9.648 -0.560 0.051 1.00 0.00 N HETATM 32 N7 UNL 1 10.960 -0.699 0.059 1.00 0.00 N HETATM 33 C24 UNL 1 11.528 0.460 0.470 1.00 0.00 C HETATM 34 N8 UNL 1 10.515 1.304 0.710 1.00 0.00 N HETATM 35 C25 UNL 1 9.333 0.685 0.454 1.00 0.00 C HETATM 36 C26 UNL 1 8.035 1.069 0.528 1.00 0.00 C HETATM 37 H1 UNL 1 5.277 2.577 1.286 1.00 0.00 H HETATM 38 H2 UNL 1 4.215 3.460 0.053 1.00 0.00 H HETATM 39 H3 UNL 1 3.673 3.202 1.780 1.00 0.00 H HETATM 40 H4 UNL 1 1.593 2.216 0.643 1.00 0.00 H HETATM 41 H5 UNL 1 -0.249 0.814 0.577 1.00 0.00 H HETATM 42 H6 UNL 1 0.088 -2.974 -3.356 1.00 0.00 H HETATM 43 H7 UNL 1 -4.349 -2.380 -2.561 1.00 0.00 H HETATM 44 H8 UNL 1 -5.668 -0.938 -0.974 1.00 0.00 H HETATM 45 H9 UNL 1 -4.206 1.393 1.454 1.00 0.00 H HETATM 46 H10 UNL 1 -9.989 -1.220 1.003 1.00 0.00 H HETATM 47 H11 UNL 1 -8.997 -1.039 -0.499 1.00 0.00 H HETATM 48 H12 UNL 1 -8.462 -2.128 0.890 1.00 0.00 H HETATM 49 H13 UNL 1 -9.666 -0.182 2.812 1.00 0.00 H HETATM 50 H14 UNL 1 -8.025 0.371 3.319 1.00 0.00 H HETATM 51 H15 UNL 1 -9.141 1.497 2.494 1.00 0.00 H HETATM 52 H16 UNL 1 -9.071 1.947 0.508 1.00 0.00 H HETATM 53 H17 UNL 1 -8.411 0.887 -0.829 1.00 0.00 H HETATM 54 H18 UNL 1 -2.106 0.675 0.613 1.00 0.00 H HETATM 55 H19 UNL 1 2.045 -1.798 -0.659 1.00 0.00 H HETATM 56 H20 UNL 1 4.429 -1.582 -0.508 1.00 0.00 H HETATM 57 H21 UNL 1 6.654 -1.870 -0.511 1.00 0.00 H HETATM 58 H22 UNL 1 8.972 -2.434 -0.604 1.00 0.00 H HETATM 59 H23 UNL 1 12.596 0.645 0.576 1.00 0.00 H HETATM 60 H24 UNL 1 7.808 2.074 0.855 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 3 26 CONECT 3 4 40 CONECT 4 5 24 24 CONECT 5 6 41 CONECT 6 7 7 23 CONECT 7 8 CONECT 8 9 9 42 CONECT 9 10 CONECT 10 11 11 23 CONECT 11 12 43 CONECT 12 13 13 44 CONECT 13 14 22 CONECT 14 15 45 CONECT 15 16 16 21 CONECT 16 17 CONECT 17 18 19 20 CONECT 18 46 47 48 CONECT 19 49 50 51 CONECT 20 21 52 53 CONECT 22 23 23 54 CONECT 24 25 55 CONECT 25 26 26 56 CONECT 26 27 CONECT 27 28 CONECT 28 29 36 36 CONECT 29 30 30 57 CONECT 30 31 58 CONECT 31 32 35 CONECT 32 33 33 CONECT 33 34 59 CONECT 34 35 35 CONECT 35 36 CONECT 36 60 END