COMPND HMDB0014971 HETATM 1 N1 UNL 1 2.620 2.876 -1.781 1.00 0.00 N HETATM 2 C1 UNL 1 1.652 2.257 -0.895 1.00 0.00 C HETATM 3 C2 UNL 1 0.548 1.661 -1.645 1.00 0.00 C HETATM 4 O1 UNL 1 0.509 1.719 -2.916 1.00 0.00 O HETATM 5 N2 UNL 1 -0.505 1.006 -0.979 1.00 0.00 N HETATM 6 C3 UNL 1 -1.625 0.396 -1.656 1.00 0.00 C HETATM 7 C4 UNL 1 -2.958 0.622 -1.082 1.00 0.00 C HETATM 8 O2 UNL 1 -3.911 1.465 -1.193 1.00 0.00 O HETATM 9 N3 UNL 1 -2.788 -0.542 -0.286 1.00 0.00 N HETATM 10 C5 UNL 1 -3.127 -1.301 0.860 1.00 0.00 C HETATM 11 C6 UNL 1 -4.548 -1.491 1.210 1.00 0.00 C HETATM 12 O3 UNL 1 -5.497 -1.017 0.541 1.00 0.00 O HETATM 13 O4 UNL 1 -4.904 -2.225 2.332 1.00 0.00 O HETATM 14 C7 UNL 1 -2.195 -1.834 1.622 1.00 0.00 C HETATM 15 CL1 UNL 1 -2.746 -2.766 3.027 1.00 0.00 CL HETATM 16 C8 UNL 1 -0.737 -1.698 1.406 1.00 0.00 C HETATM 17 S1 UNL 1 -0.396 -1.783 -0.364 1.00 0.00 S HETATM 18 C9 UNL 1 -1.782 -1.043 -1.245 1.00 0.00 C HETATM 19 C10 UNL 1 2.381 1.270 -0.054 1.00 0.00 C HETATM 20 C11 UNL 1 2.198 1.148 1.304 1.00 0.00 C HETATM 21 C12 UNL 1 2.893 0.217 2.063 1.00 0.00 C HETATM 22 C13 UNL 1 3.802 -0.624 1.453 1.00 0.00 C HETATM 23 C14 UNL 1 4.003 -0.519 0.084 1.00 0.00 C HETATM 24 C15 UNL 1 3.291 0.425 -0.654 1.00 0.00 C HETATM 25 H1 UNL 1 3.467 3.098 -1.211 1.00 0.00 H HETATM 26 H2 UNL 1 2.812 2.213 -2.564 1.00 0.00 H HETATM 27 H3 UNL 1 1.223 3.005 -0.194 1.00 0.00 H HETATM 28 H4 UNL 1 -0.490 0.951 0.061 1.00 0.00 H HETATM 29 H5 UNL 1 -1.533 0.543 -2.769 1.00 0.00 H HETATM 30 H6 UNL 1 -5.615 -2.952 2.177 1.00 0.00 H HETATM 31 H7 UNL 1 -0.226 -2.530 1.942 1.00 0.00 H HETATM 32 H8 UNL 1 -0.370 -0.704 1.771 1.00 0.00 H HETATM 33 H9 UNL 1 -2.247 -1.695 -2.022 1.00 0.00 H HETATM 34 H10 UNL 1 1.480 1.817 1.767 1.00 0.00 H HETATM 35 H11 UNL 1 2.752 0.121 3.128 1.00 0.00 H HETATM 36 H12 UNL 1 4.373 -1.372 2.008 1.00 0.00 H HETATM 37 H13 UNL 1 4.724 -1.191 -0.385 1.00 0.00 H HETATM 38 H14 UNL 1 3.474 0.478 -1.720 1.00 0.00 H CONECT 1 2 25 26 CONECT 2 3 19 27 CONECT 3 4 4 5 CONECT 5 6 28 CONECT 6 7 18 29 CONECT 7 8 8 9 CONECT 9 10 18 CONECT 10 11 14 14 CONECT 11 12 12 13 CONECT 13 30 CONECT 14 15 16 CONECT 16 17 31 32 CONECT 17 18 CONECT 18 33 CONECT 19 20 20 24 CONECT 20 21 34 CONECT 21 22 22 35 CONECT 22 23 36 CONECT 23 24 24 37 CONECT 24 38 END