COMPND HMDB0257267 HETATM 1 C1 UNL 1 -5.357 -1.675 2.753 1.00 0.00 C HETATM 2 O1 UNL 1 -5.031 -0.576 1.946 1.00 0.00 O HETATM 3 C2 UNL 1 -4.197 -0.770 0.860 1.00 0.00 C HETATM 4 C3 UNL 1 -3.662 -1.995 0.519 1.00 0.00 C HETATM 5 C4 UNL 1 -2.844 -2.183 -0.548 1.00 0.00 C HETATM 6 C5 UNL 1 -2.502 -1.126 -1.362 1.00 0.00 C HETATM 7 S1 UNL 1 -1.467 -1.351 -2.758 1.00 0.00 S HETATM 8 O2 UNL 1 -1.892 -2.535 -3.571 1.00 0.00 O HETATM 9 O3 UNL 1 -1.530 -0.077 -3.596 1.00 0.00 O HETATM 10 N1 UNL 1 0.144 -1.487 -2.219 1.00 0.00 N HETATM 11 C6 UNL 1 0.735 -0.385 -1.525 1.00 0.00 C HETATM 12 N2 UNL 1 1.956 -0.295 -1.030 1.00 0.00 N HETATM 13 C7 UNL 1 2.349 0.784 -0.426 1.00 0.00 C HETATM 14 C8 UNL 1 3.720 0.902 0.136 1.00 0.00 C HETATM 15 C9 UNL 1 4.075 2.054 0.756 1.00 0.00 C HETATM 16 C10 UNL 1 5.361 2.162 1.283 1.00 0.00 C HETATM 17 C11 UNL 1 6.225 1.118 1.164 1.00 0.00 C HETATM 18 C12 UNL 1 5.893 -0.062 0.540 1.00 0.00 C HETATM 19 N3 UNL 1 6.792 -1.140 0.420 1.00 0.00 N1+ HETATM 20 O4 UNL 1 6.455 -2.190 -0.150 1.00 0.00 O HETATM 21 O5 UNL 1 8.044 -1.037 0.932 1.00 0.00 O1- HETATM 22 C13 UNL 1 4.611 -0.137 0.029 1.00 0.00 C HETATM 23 C14 UNL 1 1.438 1.811 -0.332 1.00 0.00 C HETATM 24 S2 UNL 1 0.082 1.143 -1.122 1.00 0.00 S HETATM 25 C15 UNL 1 -3.017 0.115 -1.055 1.00 0.00 C HETATM 26 C16 UNL 1 -3.854 0.288 0.043 1.00 0.00 C HETATM 27 O6 UNL 1 -4.331 1.563 0.286 1.00 0.00 O HETATM 28 C17 UNL 1 -3.994 2.660 -0.534 1.00 0.00 C HETATM 29 H1 UNL 1 -5.901 -1.369 3.671 1.00 0.00 H HETATM 30 H2 UNL 1 -4.416 -2.183 3.027 1.00 0.00 H HETATM 31 H3 UNL 1 -5.986 -2.385 2.177 1.00 0.00 H HETATM 32 H4 UNL 1 -3.927 -2.838 1.158 1.00 0.00 H HETATM 33 H5 UNL 1 -2.455 -3.158 -0.767 1.00 0.00 H HETATM 34 H6 UNL 1 0.695 -2.342 -2.382 1.00 0.00 H HETATM 35 H7 UNL 1 3.421 2.926 0.881 1.00 0.00 H HETATM 36 H8 UNL 1 5.684 3.055 1.781 1.00 0.00 H HETATM 37 H9 UNL 1 7.248 1.164 1.566 1.00 0.00 H HETATM 38 H10 UNL 1 4.342 -1.080 -0.470 1.00 0.00 H HETATM 39 H11 UNL 1 1.555 2.799 0.131 1.00 0.00 H HETATM 40 H12 UNL 1 -2.797 1.003 -1.669 1.00 0.00 H HETATM 41 H13 UNL 1 -2.899 2.835 -0.475 1.00 0.00 H HETATM 42 H14 UNL 1 -4.494 3.588 -0.213 1.00 0.00 H HETATM 43 H15 UNL 1 -4.273 2.408 -1.586 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 CONECT 3 4 4 26 CONECT 4 5 32 CONECT 5 6 6 33 CONECT 6 7 25 CONECT 7 8 8 9 9 CONECT 7 10 CONECT 10 11 34 CONECT 11 12 12 24 CONECT 12 13 CONECT 13 14 23 23 CONECT 14 15 15 22 CONECT 15 16 35 CONECT 16 17 17 36 CONECT 17 18 37 CONECT 18 19 22 22 CONECT 19 20 20 21 CONECT 22 38 CONECT 23 24 39 CONECT 25 26 26 40 CONECT 26 27 CONECT 27 28 CONECT 28 41 42 43 END