COMPND HMDB0304847 HETATM 1 C1 UNL 1 -8.561 0.901 0.095 1.00 0.00 C HETATM 2 O1 UNL 1 -7.590 0.558 -0.850 1.00 0.00 O HETATM 3 C2 UNL 1 -6.233 0.433 -0.533 1.00 0.00 C HETATM 4 C3 UNL 1 -5.762 0.641 0.746 1.00 0.00 C HETATM 5 C4 UNL 1 -4.432 0.527 1.097 1.00 0.00 C HETATM 6 N1 UNL 1 -4.010 0.742 2.372 1.00 0.00 N HETATM 7 C5 UNL 1 -2.716 0.630 2.714 1.00 0.00 C HETATM 8 C6 UNL 1 -1.784 0.289 1.754 1.00 0.00 C HETATM 9 C7 UNL 1 -2.205 0.069 0.452 1.00 0.00 C HETATM 10 O2 UNL 1 -1.332 -0.277 -0.570 1.00 0.00 O HETATM 11 C8 UNL 1 0.012 -0.398 -0.240 1.00 0.00 C HETATM 12 C9 UNL 1 0.889 0.671 -0.311 1.00 0.00 C HETATM 13 C10 UNL 1 2.221 0.501 0.029 1.00 0.00 C HETATM 14 C11 UNL 1 2.725 -0.720 0.445 1.00 0.00 C HETATM 15 N2 UNL 1 4.098 -0.792 0.769 1.00 0.00 N HETATM 16 C12 UNL 1 4.601 -0.509 1.898 1.00 0.00 C HETATM 17 O3 UNL 1 3.779 -0.090 2.929 1.00 0.00 O HETATM 18 N3 UNL 1 5.998 -0.626 2.090 1.00 0.00 N HETATM 19 C13 UNL 1 6.877 -0.289 1.237 1.00 0.00 C HETATM 20 C14 UNL 1 6.669 0.238 -0.006 1.00 0.00 C HETATM 21 C15 UNL 1 7.904 0.446 -0.575 1.00 0.00 C HETATM 22 C16 UNL 1 8.133 1.015 -1.941 1.00 0.00 C HETATM 23 O4 UNL 1 8.793 0.057 0.297 1.00 0.00 O HETATM 24 N4 UNL 1 8.201 -0.387 1.389 1.00 0.00 N HETATM 25 C17 UNL 1 1.859 -1.772 0.514 1.00 0.00 C HETATM 26 CL1 UNL 1 2.473 -3.327 1.038 1.00 0.00 CL HETATM 27 C18 UNL 1 0.534 -1.605 0.177 1.00 0.00 C HETATM 28 C19 UNL 1 -3.542 0.184 0.101 1.00 0.00 C HETATM 29 C20 UNL 1 -3.979 -0.032 -1.192 1.00 0.00 C HETATM 30 C21 UNL 1 -5.324 0.090 -1.515 1.00 0.00 C HETATM 31 O5 UNL 1 -5.808 -0.118 -2.799 1.00 0.00 O HETATM 32 C22 UNL 1 -4.863 -0.468 -3.797 1.00 0.00 C HETATM 33 H1 UNL 1 -9.577 0.653 -0.268 1.00 0.00 H HETATM 34 H2 UNL 1 -8.525 1.989 0.257 1.00 0.00 H HETATM 35 H3 UNL 1 -8.366 0.392 1.083 1.00 0.00 H HETATM 36 H4 UNL 1 -6.454 0.916 1.556 1.00 0.00 H HETATM 37 H5 UNL 1 -2.350 0.794 3.715 1.00 0.00 H HETATM 38 H6 UNL 1 -0.739 0.186 1.965 1.00 0.00 H HETATM 39 H7 UNL 1 0.483 1.620 -0.637 1.00 0.00 H HETATM 40 H8 UNL 1 2.890 1.352 -0.034 1.00 0.00 H HETATM 41 H9 UNL 1 3.281 -0.775 3.499 1.00 0.00 H HETATM 42 H10 UNL 1 5.736 0.467 -0.493 1.00 0.00 H HETATM 43 H11 UNL 1 7.329 1.719 -2.207 1.00 0.00 H HETATM 44 H12 UNL 1 9.144 1.435 -2.021 1.00 0.00 H HETATM 45 H13 UNL 1 8.032 0.145 -2.647 1.00 0.00 H HETATM 46 H14 UNL 1 8.742 -0.749 2.217 1.00 0.00 H HETATM 47 H15 UNL 1 -0.153 -2.445 0.232 1.00 0.00 H HETATM 48 H16 UNL 1 -3.268 -0.298 -1.950 1.00 0.00 H HETATM 49 H17 UNL 1 -4.211 0.439 -3.923 1.00 0.00 H HETATM 50 H18 UNL 1 -4.284 -1.322 -3.396 1.00 0.00 H HETATM 51 H19 UNL 1 -5.332 -0.731 -4.760 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 CONECT 3 4 4 30 CONECT 4 5 36 CONECT 5 6 6 28 CONECT 6 7 CONECT 7 8 8 37 CONECT 8 9 38 CONECT 9 10 28 28 CONECT 10 11 CONECT 11 12 12 27 CONECT 12 13 39 CONECT 13 14 14 40 CONECT 14 15 25 CONECT 15 16 16 CONECT 16 17 18 CONECT 17 41 CONECT 18 19 19 CONECT 19 20 24 CONECT 20 21 21 42 CONECT 21 22 23 CONECT 22 43 44 45 CONECT 23 24 CONECT 24 46 CONECT 25 26 27 27 CONECT 27 47 CONECT 28 29 CONECT 29 30 30 48 CONECT 30 31 CONECT 31 32 CONECT 32 49 50 51 END