COMPND HMDB0258783 HETATM 1 C1 UNL 1 -6.843 0.024 2.105 1.00 0.00 C HETATM 2 N1 UNL 1 -5.705 0.599 1.415 1.00 0.00 N HETATM 3 C2 UNL 1 -5.123 -0.013 0.278 1.00 0.00 C HETATM 4 O1 UNL 1 -5.593 -1.099 -0.172 1.00 0.00 O HETATM 5 C3 UNL 1 -3.980 0.642 -0.350 1.00 0.00 C HETATM 6 C4 UNL 1 -3.355 0.102 -1.469 1.00 0.00 C HETATM 7 C5 UNL 1 -2.270 0.713 -2.073 1.00 0.00 C HETATM 8 C6 UNL 1 -1.607 0.139 -3.273 1.00 0.00 C HETATM 9 O2 UNL 1 -0.777 -0.936 -2.898 1.00 0.00 O HETATM 10 C7 UNL 1 0.293 -0.845 -2.030 1.00 0.00 C HETATM 11 N2 UNL 1 0.710 0.259 -1.413 1.00 0.00 N HETATM 12 N3 UNL 1 1.745 0.280 -0.591 1.00 0.00 N HETATM 13 C8 UNL 1 2.491 -0.790 -0.281 1.00 0.00 C HETATM 14 N4 UNL 1 3.594 -0.810 0.584 1.00 0.00 N HETATM 15 C9 UNL 1 4.151 0.267 1.303 1.00 0.00 C HETATM 16 C10 UNL 1 3.674 1.554 1.265 1.00 0.00 C HETATM 17 C11 UNL 1 4.237 2.606 1.980 1.00 0.00 C HETATM 18 C12 UNL 1 5.329 2.368 2.776 1.00 0.00 C HETATM 19 CL1 UNL 1 6.032 3.689 3.673 1.00 0.00 CL HETATM 20 C13 UNL 1 5.834 1.087 2.838 1.00 0.00 C HETATM 21 C14 UNL 1 5.270 0.058 2.127 1.00 0.00 C HETATM 22 C15 UNL 1 2.093 -1.983 -0.905 1.00 0.00 C HETATM 23 C16 UNL 1 2.567 -3.273 -0.866 1.00 0.00 C HETATM 24 C17 UNL 1 1.738 -4.012 -1.713 1.00 0.00 C HETATM 25 O3 UNL 1 0.833 -3.219 -2.221 1.00 0.00 O HETATM 26 C18 UNL 1 1.023 -2.000 -1.754 1.00 0.00 C HETATM 27 C19 UNL 1 -1.786 1.894 -1.556 1.00 0.00 C HETATM 28 C20 UNL 1 -2.427 2.414 -0.437 1.00 0.00 C HETATM 29 N5 UNL 1 -3.480 1.793 0.125 1.00 0.00 N HETATM 30 H1 UNL 1 -7.265 -0.760 1.413 1.00 0.00 H HETATM 31 H2 UNL 1 -7.659 0.758 2.235 1.00 0.00 H HETATM 32 H3 UNL 1 -6.585 -0.403 3.076 1.00 0.00 H HETATM 33 H4 UNL 1 -5.307 1.489 1.771 1.00 0.00 H HETATM 34 H5 UNL 1 -3.726 -0.809 -1.871 1.00 0.00 H HETATM 35 H6 UNL 1 -2.393 -0.268 -3.948 1.00 0.00 H HETATM 36 H7 UNL 1 -1.074 0.907 -3.861 1.00 0.00 H HETATM 37 H8 UNL 1 4.074 -1.747 0.720 1.00 0.00 H HETATM 38 H9 UNL 1 2.819 1.822 0.664 1.00 0.00 H HETATM 39 H10 UNL 1 3.828 3.618 1.924 1.00 0.00 H HETATM 40 H11 UNL 1 6.703 0.930 3.478 1.00 0.00 H HETATM 41 H12 UNL 1 5.695 -0.931 2.203 1.00 0.00 H HETATM 42 H13 UNL 1 3.399 -3.618 -0.300 1.00 0.00 H HETATM 43 H14 UNL 1 1.795 -5.062 -1.940 1.00 0.00 H HETATM 44 H15 UNL 1 -0.944 2.423 -1.981 1.00 0.00 H HETATM 45 H16 UNL 1 -2.028 3.342 -0.050 1.00 0.00 H CONECT 1 2 30 31 32 CONECT 2 3 33 CONECT 3 4 4 5 CONECT 5 6 6 29 CONECT 6 7 34 CONECT 7 8 27 27 CONECT 8 9 35 36 CONECT 9 10 CONECT 10 11 11 26 CONECT 11 12 CONECT 12 13 13 CONECT 13 14 22 CONECT 14 15 37 CONECT 15 16 16 21 CONECT 16 17 38 CONECT 17 18 18 39 CONECT 18 19 20 CONECT 20 21 21 40 CONECT 21 41 CONECT 22 23 26 26 CONECT 23 24 24 42 CONECT 24 25 43 CONECT 25 26 CONECT 27 28 44 CONECT 28 29 29 45 END