COMPND HMDB0254773 HETATM 1 C1 UNL 1 -3.363 3.969 -1.011 1.00 0.00 C HETATM 2 N1 UNL 1 -2.865 3.461 0.287 1.00 0.00 N HETATM 3 N2 UNL 1 -2.843 4.171 1.373 1.00 0.00 N HETATM 4 C2 UNL 1 -2.314 3.429 2.384 1.00 0.00 C HETATM 5 N3 UNL 1 -2.032 2.229 1.786 1.00 0.00 N HETATM 6 C3 UNL 1 -2.360 2.244 0.526 1.00 0.00 C HETATM 7 C4 UNL 1 -2.222 1.193 -0.500 1.00 0.00 C HETATM 8 O1 UNL 1 -1.419 0.178 -0.288 1.00 0.00 O HETATM 9 C5 UNL 1 -0.480 -0.663 -0.057 1.00 0.00 C HETATM 10 N4 UNL 1 0.796 -0.268 0.180 1.00 0.00 N HETATM 11 N5 UNL 1 1.823 -1.045 0.427 1.00 0.00 N HETATM 12 C6 UNL 1 3.134 -0.819 0.653 1.00 0.00 C HETATM 13 C7 UNL 1 3.854 0.441 0.541 1.00 0.00 C HETATM 14 C8 UNL 1 4.501 0.604 -0.704 1.00 0.00 C HETATM 15 F1 UNL 1 4.446 -0.375 -1.660 1.00 0.00 F HETATM 16 C9 UNL 1 5.217 1.735 -1.001 1.00 0.00 C HETATM 17 C10 UNL 1 5.301 2.733 -0.055 1.00 0.00 C HETATM 18 C11 UNL 1 4.653 2.544 1.153 1.00 0.00 C HETATM 19 C12 UNL 1 3.919 1.389 1.460 1.00 0.00 C HETATM 20 F2 UNL 1 3.303 1.283 2.690 1.00 0.00 F HETATM 21 N6 UNL 1 3.739 -2.021 0.835 1.00 0.00 N HETATM 22 N7 UNL 1 2.845 -2.961 0.718 1.00 0.00 N HETATM 23 C13 UNL 1 1.677 -2.392 0.466 1.00 0.00 C HETATM 24 C14 UNL 1 0.403 -2.883 0.222 1.00 0.00 C HETATM 25 C15 UNL 1 -0.666 -2.060 -0.037 1.00 0.00 C HETATM 26 C16 UNL 1 -2.026 -2.507 -0.331 1.00 0.00 C HETATM 27 C17 UNL 1 -2.039 -3.402 -1.615 1.00 0.00 C HETATM 28 C18 UNL 1 -3.138 -4.200 -0.943 1.00 0.00 C HETATM 29 C19 UNL 1 -2.418 -3.831 0.377 1.00 0.00 C HETATM 30 H1 UNL 1 -3.974 4.863 -0.856 1.00 0.00 H HETATM 31 H2 UNL 1 -2.492 4.153 -1.689 1.00 0.00 H HETATM 32 H3 UNL 1 -3.996 3.178 -1.504 1.00 0.00 H HETATM 33 H4 UNL 1 -2.180 3.762 3.374 1.00 0.00 H HETATM 34 H5 UNL 1 -1.838 1.727 -1.460 1.00 0.00 H HETATM 35 H6 UNL 1 -3.287 0.948 -0.853 1.00 0.00 H HETATM 36 H7 UNL 1 5.715 1.847 -1.974 1.00 0.00 H HETATM 37 H8 UNL 1 5.834 3.652 -0.212 1.00 0.00 H HETATM 38 H9 UNL 1 4.693 3.317 1.906 1.00 0.00 H HETATM 39 H10 UNL 1 0.298 -3.935 0.258 1.00 0.00 H HETATM 40 H11 UNL 1 -2.823 -1.803 -0.236 1.00 0.00 H HETATM 41 H12 UNL 1 -1.054 -3.879 -1.702 1.00 0.00 H HETATM 42 H13 UNL 1 -2.346 -2.794 -2.499 1.00 0.00 H HETATM 43 H14 UNL 1 -4.114 -3.666 -1.008 1.00 0.00 H HETATM 44 H15 UNL 1 -3.158 -5.278 -1.153 1.00 0.00 H HETATM 45 H16 UNL 1 -3.073 -3.711 1.233 1.00 0.00 H HETATM 46 H17 UNL 1 -1.629 -4.556 0.500 1.00 0.00 H CONECT 1 2 30 31 32 CONECT 2 3 6 CONECT 3 4 4 CONECT 4 5 33 CONECT 5 6 6 CONECT 6 7 CONECT 7 8 34 35 CONECT 8 9 CONECT 9 10 10 25 CONECT 10 11 CONECT 11 12 23 CONECT 12 13 21 21 CONECT 13 14 14 19 CONECT 14 15 16 CONECT 16 17 17 36 CONECT 17 18 37 CONECT 18 19 19 38 CONECT 19 20 CONECT 21 22 CONECT 22 23 23 CONECT 23 24 CONECT 24 25 25 39 CONECT 25 26 CONECT 26 27 29 40 CONECT 27 28 41 42 CONECT 28 29 43 44 CONECT 29 45 46 END