COMPND HMDB0304864 HETATM 1 C1 UNL 1 -2.370 -1.120 -2.700 1.00 0.00 C HETATM 2 C2 UNL 1 -2.845 0.245 -2.250 1.00 0.00 C HETATM 3 N1 UNL 1 -2.666 0.485 -0.841 1.00 0.00 N HETATM 4 C3 UNL 1 -1.521 1.057 -0.411 1.00 0.00 C HETATM 5 O1 UNL 1 -0.620 1.366 -1.225 1.00 0.00 O HETATM 6 C4 UNL 1 -1.316 1.315 0.931 1.00 0.00 C HETATM 7 C5 UNL 1 -0.073 1.919 1.366 1.00 0.00 C HETATM 8 C6 UNL 1 1.189 1.426 1.001 1.00 0.00 C HETATM 9 C7 UNL 1 2.333 2.025 1.449 1.00 0.00 C HETATM 10 N2 UNL 1 3.636 1.618 1.128 1.00 0.00 N HETATM 11 C8 UNL 1 3.983 0.445 0.401 1.00 0.00 C HETATM 12 O2 UNL 1 3.111 -0.329 -0.004 1.00 0.00 O HETATM 13 N3 UNL 1 5.352 0.165 0.141 1.00 0.00 N HETATM 14 C9 UNL 1 5.911 -0.920 -0.539 1.00 0.00 C HETATM 15 C10 UNL 1 5.133 -1.918 -1.082 1.00 0.00 C HETATM 16 C11 UNL 1 5.758 -2.979 -1.752 1.00 0.00 C HETATM 17 C12 UNL 1 7.124 -3.019 -1.862 1.00 0.00 C HETATM 18 C13 UNL 1 7.904 -2.022 -1.320 1.00 0.00 C HETATM 19 C14 UNL 1 7.302 -0.992 -0.671 1.00 0.00 C HETATM 20 C15 UNL 1 2.259 3.161 2.294 1.00 0.00 C HETATM 21 F1 UNL 1 3.396 3.760 2.744 1.00 0.00 F HETATM 22 C16 UNL 1 1.020 3.635 2.645 1.00 0.00 C HETATM 23 C17 UNL 1 -0.129 3.022 2.186 1.00 0.00 C HETATM 24 BR1 UNL 1 -1.855 3.708 2.676 1.00 0.00 BR HETATM 25 C18 UNL 1 -2.320 0.968 1.831 1.00 0.00 C HETATM 26 C19 UNL 1 -3.482 0.386 1.397 1.00 0.00 C HETATM 27 C20 UNL 1 -4.507 0.018 2.245 1.00 0.00 C HETATM 28 N4 UNL 1 -5.633 -0.553 1.799 1.00 0.00 N HETATM 29 C21 UNL 1 -5.822 -0.799 0.494 1.00 0.00 C HETATM 30 N5 UNL 1 -7.004 -1.405 0.004 1.00 0.00 N HETATM 31 C22 UNL 1 -7.205 -1.656 -1.399 1.00 0.00 C HETATM 32 C23 UNL 1 -4.788 -0.430 -0.377 1.00 0.00 C HETATM 33 C24 UNL 1 -3.625 0.155 0.038 1.00 0.00 C HETATM 34 H1 UNL 1 -1.704 -1.603 -1.976 1.00 0.00 H HETATM 35 H2 UNL 1 -3.292 -1.731 -2.913 1.00 0.00 H HETATM 36 H3 UNL 1 -1.834 -1.084 -3.681 1.00 0.00 H HETATM 37 H4 UNL 1 -2.195 0.971 -2.843 1.00 0.00 H HETATM 38 H5 UNL 1 -3.866 0.469 -2.627 1.00 0.00 H HETATM 39 H6 UNL 1 1.192 0.574 0.363 1.00 0.00 H HETATM 40 H7 UNL 1 4.471 2.204 1.429 1.00 0.00 H HETATM 41 H8 UNL 1 6.048 0.892 0.512 1.00 0.00 H HETATM 42 H9 UNL 1 4.049 -1.950 -1.032 1.00 0.00 H HETATM 43 H10 UNL 1 5.141 -3.747 -2.169 1.00 0.00 H HETATM 44 H11 UNL 1 7.596 -3.848 -2.384 1.00 0.00 H HETATM 45 H12 UNL 1 8.981 -2.025 -1.389 1.00 0.00 H HETATM 46 H13 UNL 1 7.886 -0.180 -0.227 1.00 0.00 H HETATM 47 H14 UNL 1 0.922 4.510 3.294 1.00 0.00 H HETATM 48 H15 UNL 1 -2.210 1.139 2.890 1.00 0.00 H HETATM 49 H16 UNL 1 -4.369 0.210 3.303 1.00 0.00 H HETATM 50 H17 UNL 1 -7.745 -1.676 0.675 1.00 0.00 H HETATM 51 H18 UNL 1 -7.300 -0.716 -1.984 1.00 0.00 H HETATM 52 H19 UNL 1 -6.326 -2.246 -1.790 1.00 0.00 H HETATM 53 H20 UNL 1 -8.102 -2.253 -1.605 1.00 0.00 H HETATM 54 H21 UNL 1 -4.977 -0.646 -1.409 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 37 38 CONECT 3 4 33 CONECT 4 5 5 6 CONECT 6 7 25 25 CONECT 7 8 8 23 CONECT 8 9 39 CONECT 9 10 20 20 CONECT 10 11 40 CONECT 11 12 12 13 CONECT 13 14 41 CONECT 14 15 15 19 CONECT 15 16 42 CONECT 16 17 17 43 CONECT 17 18 44 CONECT 18 19 19 45 CONECT 19 46 CONECT 20 21 22 CONECT 22 23 23 47 CONECT 23 24 CONECT 25 26 48 CONECT 26 27 27 33 CONECT 27 28 49 CONECT 28 29 29 CONECT 29 30 32 CONECT 30 31 50 CONECT 31 51 52 53 CONECT 32 33 33 54 END