COMPND HMDB0015439 HETATM 1 C1 UNL 1 -3.855 3.423 0.775 1.00 0.00 C HETATM 2 C2 UNL 1 -3.799 1.940 0.614 1.00 0.00 C HETATM 3 N1 UNL 1 -4.561 1.179 1.397 1.00 0.00 N HETATM 4 C3 UNL 1 -4.522 -0.166 1.263 1.00 0.00 C HETATM 5 C4 UNL 1 -5.381 -1.026 2.144 1.00 0.00 C HETATM 6 C5 UNL 1 -3.707 -0.765 0.330 1.00 0.00 C HETATM 7 C6 UNL 1 -2.935 0.037 -0.461 1.00 0.00 C HETATM 8 N2 UNL 1 -2.995 1.366 -0.305 1.00 0.00 N HETATM 9 N3 UNL 1 -2.079 -0.532 -1.444 1.00 0.00 N HETATM 10 C7 UNL 1 -1.234 0.273 -2.310 1.00 0.00 C HETATM 11 C8 UNL 1 0.097 0.477 -1.663 1.00 0.00 C HETATM 12 C9 UNL 1 0.348 -0.040 -0.409 1.00 0.00 C HETATM 13 C10 UNL 1 1.585 0.159 0.170 1.00 0.00 C HETATM 14 C11 UNL 1 2.602 0.866 -0.461 1.00 0.00 C HETATM 15 C12 UNL 1 3.900 1.047 0.208 1.00 0.00 C HETATM 16 C13 UNL 1 4.276 2.305 0.682 1.00 0.00 C HETATM 17 C14 UNL 1 5.461 2.555 1.328 1.00 0.00 C HETATM 18 C15 UNL 1 6.325 1.487 1.514 1.00 0.00 C HETATM 19 C16 UNL 1 5.991 0.230 1.061 1.00 0.00 C HETATM 20 C17 UNL 1 4.779 0.011 0.408 1.00 0.00 C HETATM 21 C18 UNL 1 4.496 -1.335 -0.049 1.00 0.00 C HETATM 22 N4 UNL 1 5.232 -2.447 0.084 1.00 0.00 N HETATM 23 N5 UNL 1 4.603 -3.449 -0.486 1.00 0.00 N HETATM 24 N6 UNL 1 3.471 -3.004 -0.987 1.00 0.00 N HETATM 25 N7 UNL 1 3.407 -1.715 -0.719 1.00 0.00 N HETATM 26 C19 UNL 1 2.340 1.372 -1.700 1.00 0.00 C HETATM 27 C20 UNL 1 1.105 1.178 -2.288 1.00 0.00 C HETATM 28 C21 UNL 1 -2.063 -1.955 -1.564 1.00 0.00 C HETATM 29 O1 UNL 1 -1.016 -2.550 -1.969 1.00 0.00 O HETATM 30 C22 UNL 1 -3.308 -2.679 -1.198 1.00 0.00 C HETATM 31 C23 UNL 1 -3.683 -2.259 0.207 1.00 0.00 C HETATM 32 H1 UNL 1 -4.144 3.713 1.790 1.00 0.00 H HETATM 33 H2 UNL 1 -2.825 3.836 0.568 1.00 0.00 H HETATM 34 H3 UNL 1 -4.562 3.845 0.051 1.00 0.00 H HETATM 35 H4 UNL 1 -6.092 -1.627 1.516 1.00 0.00 H HETATM 36 H5 UNL 1 -5.924 -0.384 2.849 1.00 0.00 H HETATM 37 H6 UNL 1 -4.790 -1.753 2.716 1.00 0.00 H HETATM 38 H7 UNL 1 -1.158 -0.151 -3.310 1.00 0.00 H HETATM 39 H8 UNL 1 -1.763 1.258 -2.427 1.00 0.00 H HETATM 40 H9 UNL 1 -0.456 -0.589 0.071 1.00 0.00 H HETATM 41 H10 UNL 1 1.789 -0.246 1.158 1.00 0.00 H HETATM 42 H11 UNL 1 3.590 3.115 0.526 1.00 0.00 H HETATM 43 H12 UNL 1 5.737 3.546 1.691 1.00 0.00 H HETATM 44 H13 UNL 1 7.248 1.711 2.024 1.00 0.00 H HETATM 45 H14 UNL 1 6.702 -0.563 1.233 1.00 0.00 H HETATM 46 H15 UNL 1 2.761 -3.597 -1.505 1.00 0.00 H HETATM 47 H16 UNL 1 3.101 1.928 -2.228 1.00 0.00 H HETATM 48 H17 UNL 1 0.876 1.570 -3.269 1.00 0.00 H HETATM 49 H18 UNL 1 -3.159 -3.778 -1.176 1.00 0.00 H HETATM 50 H19 UNL 1 -4.143 -2.424 -1.889 1.00 0.00 H HETATM 51 H20 UNL 1 -2.964 -2.715 0.938 1.00 0.00 H HETATM 52 H21 UNL 1 -4.703 -2.680 0.406 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 3 8 CONECT 3 4 CONECT 4 5 6 6 CONECT 5 35 36 37 CONECT 6 7 31 CONECT 7 8 8 9 CONECT 9 10 28 CONECT 10 11 38 39 CONECT 11 12 12 27 CONECT 12 13 40 CONECT 13 14 14 41 CONECT 14 15 26 CONECT 15 16 16 20 CONECT 16 17 42 CONECT 17 18 18 43 CONECT 18 19 44 CONECT 19 20 20 45 CONECT 20 21 CONECT 21 22 25 25 CONECT 22 23 23 CONECT 23 24 CONECT 24 25 46 CONECT 26 27 27 47 CONECT 27 48 CONECT 28 29 29 30 CONECT 30 31 49 50 CONECT 31 51 52 END