COMPND HMDB0255605 HETATM 1 C1 UNL 1 3.806 -3.161 -0.331 1.00 0.00 C HETATM 2 C2 UNL 1 3.514 -1.868 0.485 1.00 0.00 C HETATM 3 C3 UNL 1 2.206 -2.088 1.228 1.00 0.00 C HETATM 4 N1 UNL 1 2.472 -3.262 2.109 1.00 0.00 N HETATM 5 C4 UNL 1 1.062 -2.385 0.362 1.00 0.00 C HETATM 6 O1 UNL 1 0.668 -3.591 0.300 1.00 0.00 O HETATM 7 N2 UNL 1 0.364 -1.438 -0.405 1.00 0.00 N HETATM 8 C5 UNL 1 -0.754 -1.859 -1.226 1.00 0.00 C HETATM 9 C6 UNL 1 -0.487 -1.505 -2.640 1.00 0.00 C HETATM 10 O2 UNL 1 0.570 -0.931 -2.976 1.00 0.00 O HETATM 11 O3 UNL 1 -1.422 -1.813 -3.613 1.00 0.00 O HETATM 12 C7 UNL 1 -2.039 -1.174 -0.829 1.00 0.00 C HETATM 13 O4 UNL 1 -1.981 0.187 -0.936 1.00 0.00 O HETATM 14 C8 UNL 1 -2.477 0.763 0.202 1.00 0.00 C HETATM 15 N3 UNL 1 -3.234 1.933 -0.103 1.00 0.00 N HETATM 16 C9 UNL 1 -3.249 2.940 0.795 1.00 0.00 C HETATM 17 C10 UNL 1 -3.961 4.106 0.570 1.00 0.00 C HETATM 18 C11 UNL 1 -4.654 4.202 -0.608 1.00 0.00 C HETATM 19 O5 UNL 1 -5.321 5.237 -0.873 1.00 0.00 O HETATM 20 N4 UNL 1 -4.616 3.177 -1.482 1.00 0.00 N HETATM 21 C12 UNL 1 -3.920 2.049 -1.249 1.00 0.00 C HETATM 22 O6 UNL 1 -3.929 1.117 -2.124 1.00 0.00 O HETATM 23 C13 UNL 1 -3.243 -0.278 0.970 1.00 0.00 C HETATM 24 O7 UNL 1 -3.143 -0.087 2.359 1.00 0.00 O HETATM 25 C14 UNL 1 -2.495 -1.535 0.552 1.00 0.00 C HETATM 26 O8 UNL 1 -3.349 -2.633 0.492 1.00 0.00 O HETATM 27 C15 UNL 1 3.476 -0.772 -0.491 1.00 0.00 C HETATM 28 O9 UNL 1 4.684 -0.669 -1.225 1.00 0.00 O HETATM 29 C16 UNL 1 3.202 0.586 0.027 1.00 0.00 C HETATM 30 C17 UNL 1 3.294 1.023 1.300 1.00 0.00 C HETATM 31 C18 UNL 1 2.985 2.327 1.681 1.00 0.00 C HETATM 32 C19 UNL 1 2.565 3.227 0.724 1.00 0.00 C HETATM 33 O10 UNL 1 2.246 4.535 1.056 1.00 0.00 O HETATM 34 C20 UNL 1 2.479 2.761 -0.571 1.00 0.00 C HETATM 35 N5 UNL 1 2.784 1.494 -0.905 1.00 0.00 N HETATM 36 H1 UNL 1 3.291 -3.141 -1.290 1.00 0.00 H HETATM 37 H2 UNL 1 4.898 -3.130 -0.525 1.00 0.00 H HETATM 38 H3 UNL 1 3.596 -4.050 0.282 1.00 0.00 H HETATM 39 H4 UNL 1 4.316 -1.844 1.243 1.00 0.00 H HETATM 40 H5 UNL 1 2.004 -1.223 1.851 1.00 0.00 H HETATM 41 H6 UNL 1 2.864 -2.906 3.021 1.00 0.00 H HETATM 42 H7 UNL 1 1.543 -3.704 2.239 1.00 0.00 H HETATM 43 H8 UNL 1 0.581 -0.421 -0.428 1.00 0.00 H HETATM 44 H9 UNL 1 -0.925 -2.941 -1.145 1.00 0.00 H HETATM 45 H10 UNL 1 -1.235 -1.783 -4.600 1.00 0.00 H HETATM 46 H11 UNL 1 -2.820 -1.538 -1.538 1.00 0.00 H HETATM 47 H12 UNL 1 -1.596 1.048 0.842 1.00 0.00 H HETATM 48 H13 UNL 1 -2.709 2.895 1.741 1.00 0.00 H HETATM 49 H14 UNL 1 -3.992 4.929 1.270 1.00 0.00 H HETATM 50 H15 UNL 1 -5.141 3.220 -2.402 1.00 0.00 H HETATM 51 H16 UNL 1 -4.305 -0.321 0.725 1.00 0.00 H HETATM 52 H17 UNL 1 -2.858 -0.952 2.731 1.00 0.00 H HETATM 53 H18 UNL 1 -1.661 -1.692 1.250 1.00 0.00 H HETATM 54 H19 UNL 1 -3.828 -2.672 -0.374 1.00 0.00 H HETATM 55 H20 UNL 1 2.716 -0.998 -1.263 1.00 0.00 H HETATM 56 H21 UNL 1 5.407 -1.177 -0.824 1.00 0.00 H HETATM 57 H22 UNL 1 3.631 0.369 2.061 1.00 0.00 H HETATM 58 H23 UNL 1 3.063 2.658 2.700 1.00 0.00 H HETATM 59 H24 UNL 1 2.910 5.294 1.056 1.00 0.00 H HETATM 60 H25 UNL 1 2.147 3.465 -1.337 1.00 0.00 H CONECT 1 2 36 37 38 CONECT 2 3 27 39 CONECT 3 4 5 40 CONECT 4 41 42 CONECT 5 6 6 7 CONECT 7 8 43 CONECT 8 9 12 44 CONECT 9 10 10 11 CONECT 11 45 CONECT 12 13 25 46 CONECT 13 14 CONECT 14 15 23 47 CONECT 15 16 21 CONECT 16 17 17 48 CONECT 17 18 49 CONECT 18 19 19 20 CONECT 20 21 50 CONECT 21 22 22 CONECT 23 24 25 51 CONECT 24 52 CONECT 25 26 53 CONECT 26 54 CONECT 27 28 29 55 CONECT 28 56 CONECT 29 30 30 35 CONECT 30 31 57 CONECT 31 32 32 58 CONECT 32 33 34 CONECT 33 59 CONECT 34 35 35 60 END