COMPND HMDB0014456 HETATM 1 C1 UNL 1 -5.269 0.626 -0.418 1.00 0.00 C HETATM 2 C2 UNL 1 -3.770 0.727 -0.545 1.00 0.00 C HETATM 3 O1 UNL 1 -3.115 -0.337 0.112 1.00 0.00 O HETATM 4 C3 UNL 1 -1.750 -0.488 0.153 1.00 0.00 C HETATM 5 C4 UNL 1 -1.171 -1.550 0.811 1.00 0.00 C HETATM 6 C5 UNL 1 0.171 -1.770 0.897 1.00 0.00 C HETATM 7 C6 UNL 1 1.077 -0.879 0.286 1.00 0.00 C HETATM 8 N1 UNL 1 2.379 -0.959 0.284 1.00 0.00 N HETATM 9 C7 UNL 1 3.102 -0.060 -0.324 1.00 0.00 C HETATM 10 S1 UNL 1 4.863 0.062 -0.475 1.00 0.00 S HETATM 11 N2 UNL 1 5.522 0.975 0.830 1.00 0.00 N HETATM 12 O2 UNL 1 5.104 0.770 -1.794 1.00 0.00 O HETATM 13 O3 UNL 1 5.381 -1.340 -0.512 1.00 0.00 O HETATM 14 S2 UNL 1 1.911 1.002 -0.957 1.00 0.00 S HETATM 15 C8 UNL 1 0.513 0.181 -0.371 1.00 0.00 C HETATM 16 C9 UNL 1 -0.866 0.385 -0.446 1.00 0.00 C HETATM 17 H1 UNL 1 -5.679 1.654 -0.468 1.00 0.00 H HETATM 18 H2 UNL 1 -5.715 -0.000 -1.228 1.00 0.00 H HETATM 19 H3 UNL 1 -5.517 0.226 0.592 1.00 0.00 H HETATM 20 H4 UNL 1 -3.468 0.827 -1.611 1.00 0.00 H HETATM 21 H5 UNL 1 -3.465 1.660 -0.002 1.00 0.00 H HETATM 22 H6 UNL 1 -1.875 -2.248 1.289 1.00 0.00 H HETATM 23 H7 UNL 1 0.529 -2.642 1.443 1.00 0.00 H HETATM 24 H8 UNL 1 6.092 0.304 1.423 1.00 0.00 H HETATM 25 H9 UNL 1 6.219 1.641 0.431 1.00 0.00 H HETATM 26 H10 UNL 1 -1.204 1.235 -0.978 1.00 0.00 H CONECT 1 2 17 18 19 CONECT 2 3 20 21 CONECT 3 4 CONECT 4 5 5 16 CONECT 5 6 22 CONECT 6 7 7 23 CONECT 7 8 15 CONECT 8 9 9 CONECT 9 10 14 CONECT 10 11 12 12 13 CONECT 10 13 CONECT 11 24 25 CONECT 14 15 CONECT 15 16 16 CONECT 16 26 END