COMPND HMDB0014744 HETATM 1 N1 UNL 1 6.230 1.248 0.351 1.00 0.00 N HETATM 2 S1 UNL 1 5.718 -0.379 0.678 1.00 0.00 S HETATM 3 O1 UNL 1 6.357 -1.341 -0.253 1.00 0.00 O HETATM 4 O2 UNL 1 6.202 -0.697 2.078 1.00 0.00 O HETATM 5 C1 UNL 1 3.964 -0.446 0.613 1.00 0.00 C HETATM 6 C2 UNL 1 3.214 0.689 0.334 1.00 0.00 C HETATM 7 C3 UNL 1 1.851 0.542 0.303 1.00 0.00 C HETATM 8 C4 UNL 1 1.261 -0.676 0.538 1.00 0.00 C HETATM 9 C5 UNL 1 2.013 -1.815 0.818 1.00 0.00 C HETATM 10 C6 UNL 1 3.365 -1.679 0.851 1.00 0.00 C HETATM 11 CL1 UNL 1 4.360 -3.094 1.201 1.00 0.00 CL HETATM 12 N2 UNL 1 -0.154 -0.767 0.492 1.00 0.00 N HETATM 13 C7 UNL 1 -0.935 0.027 -0.448 1.00 0.00 C HETATM 14 C8 UNL 1 -2.333 -0.504 -0.427 1.00 0.00 C HETATM 15 C9 UNL 1 -3.283 0.212 -1.365 1.00 0.00 C HETATM 16 C10 UNL 1 -4.497 0.393 -0.478 1.00 0.00 C HETATM 17 C11 UNL 1 -4.950 -0.951 -0.046 1.00 0.00 C HETATM 18 C12 UNL 1 -4.114 -1.427 0.906 1.00 0.00 C HETATM 19 C13 UNL 1 -2.976 -0.458 0.930 1.00 0.00 C HETATM 20 C14 UNL 1 -3.784 0.846 0.811 1.00 0.00 C HETATM 21 N3 UNL 1 -0.836 1.418 -0.122 1.00 0.00 N HETATM 22 S2 UNL 1 0.821 1.907 -0.034 1.00 0.00 S HETATM 23 O3 UNL 1 0.926 2.839 1.157 1.00 0.00 O HETATM 24 O4 UNL 1 1.252 2.682 -1.229 1.00 0.00 O HETATM 25 H1 UNL 1 5.763 1.883 1.034 1.00 0.00 H HETATM 26 H2 UNL 1 5.923 1.510 -0.613 1.00 0.00 H HETATM 27 H3 UNL 1 3.713 1.635 0.153 1.00 0.00 H HETATM 28 H4 UNL 1 1.512 -2.774 1.003 1.00 0.00 H HETATM 29 H5 UNL 1 -0.626 -1.442 1.171 1.00 0.00 H HETATM 30 H6 UNL 1 -0.542 -0.107 -1.477 1.00 0.00 H HETATM 31 H7 UNL 1 -2.335 -1.572 -0.745 1.00 0.00 H HETATM 32 H8 UNL 1 -2.946 1.222 -1.650 1.00 0.00 H HETATM 33 H9 UNL 1 -3.546 -0.408 -2.246 1.00 0.00 H HETATM 34 H10 UNL 1 -5.242 1.067 -0.825 1.00 0.00 H HETATM 35 H11 UNL 1 -5.821 -1.461 -0.444 1.00 0.00 H HETATM 36 H12 UNL 1 -4.285 -2.307 1.482 1.00 0.00 H HETATM 37 H13 UNL 1 -2.338 -0.506 1.777 1.00 0.00 H HETATM 38 H14 UNL 1 -3.155 1.701 0.582 1.00 0.00 H HETATM 39 H15 UNL 1 -4.488 0.968 1.636 1.00 0.00 H HETATM 40 H16 UNL 1 -1.262 2.023 -0.859 1.00 0.00 H CONECT 1 2 25 26 CONECT 2 3 3 4 4 CONECT 2 5 CONECT 5 6 6 10 CONECT 6 7 27 CONECT 7 8 8 22 CONECT 8 9 12 CONECT 9 10 10 28 CONECT 10 11 CONECT 12 13 29 CONECT 13 14 21 30 CONECT 14 15 19 31 CONECT 15 16 32 33 CONECT 16 17 20 34 CONECT 17 18 18 35 CONECT 18 19 36 CONECT 19 20 37 CONECT 20 38 39 CONECT 21 22 40 CONECT 22 23 23 24 24 END