COMPND HMDB0060804 HETATM 1 N1 UNL 1 -3.218 -1.250 -0.130 1.00 0.00 N HETATM 2 C1 UNL 1 -2.087 -0.640 0.010 1.00 0.00 C HETATM 3 N2 UNL 1 -2.065 0.709 0.111 1.00 0.00 N HETATM 4 C2 UNL 1 -0.914 1.390 0.258 1.00 0.00 C HETATM 5 S1 UNL 1 -0.892 3.171 0.391 1.00 0.00 S HETATM 6 C3 UNL 1 0.303 0.713 0.311 1.00 0.00 C HETATM 7 N3 UNL 1 1.572 1.097 0.446 1.00 0.00 N HETATM 8 C4 UNL 1 2.339 -0.001 0.430 1.00 0.00 C HETATM 9 O1 UNL 1 3.740 -0.048 0.545 1.00 0.00 O HETATM 10 N4 UNL 1 1.529 -1.060 0.284 1.00 0.00 N HETATM 11 C5 UNL 1 0.254 -0.656 0.206 1.00 0.00 C HETATM 12 N5 UNL 1 -0.916 -1.303 0.060 1.00 0.00 N HETATM 13 H1 UNL 1 -3.238 -2.273 -0.207 1.00 0.00 H HETATM 14 H2 UNL 1 -1.519 3.757 -0.744 1.00 0.00 H HETATM 15 H3 UNL 1 4.253 0.830 0.461 1.00 0.00 H HETATM 16 H4 UNL 1 1.796 -2.080 0.232 1.00 0.00 H HETATM 17 H5 UNL 1 -0.937 -2.354 -0.019 1.00 0.00 H CONECT 1 2 2 13 CONECT 2 3 12 CONECT 3 4 4 CONECT 4 5 6 CONECT 5 14 CONECT 6 7 11 11 CONECT 7 8 8 CONECT 8 9 10 CONECT 9 15 CONECT 10 11 16 CONECT 11 12 CONECT 12 17 END