COMPND HMDB0014675 HETATM 1 C1 UNL 1 -5.744 -2.059 -0.588 1.00 0.00 C HETATM 2 C2 UNL 1 -5.334 -0.814 -0.504 1.00 0.00 C HETATM 3 C3 UNL 1 -3.891 -0.550 -0.397 1.00 0.00 C HETATM 4 C4 UNL 1 -3.411 0.676 -0.304 1.00 0.00 C HETATM 5 C5 UNL 1 -4.270 1.858 -0.300 1.00 0.00 C HETATM 6 O1 UNL 1 -5.495 1.798 -0.389 1.00 0.00 O HETATM 7 O2 UNL 1 -3.749 3.151 -0.192 1.00 0.00 O HETATM 8 N1 UNL 1 -2.003 0.970 -0.197 1.00 0.00 N HETATM 9 C6 UNL 1 -1.012 1.763 0.414 1.00 0.00 C HETATM 10 O3 UNL 1 -0.983 2.739 1.200 1.00 0.00 O HETATM 11 C7 UNL 1 0.017 0.966 -0.256 1.00 0.00 C HETATM 12 N2 UNL 1 0.813 0.100 0.617 1.00 0.00 N HETATM 13 C8 UNL 1 2.203 0.148 0.483 1.00 0.00 C HETATM 14 O4 UNL 1 2.702 0.953 -0.402 1.00 0.00 O HETATM 15 C9 UNL 1 3.212 -0.593 1.210 1.00 0.00 C HETATM 16 N3 UNL 1 2.875 -1.425 2.113 1.00 0.00 N HETATM 17 O5 UNL 1 1.614 -1.716 2.497 1.00 0.00 O HETATM 18 C10 UNL 1 4.675 -0.393 0.912 1.00 0.00 C HETATM 19 C11 UNL 1 5.660 -1.079 1.581 1.00 0.00 C HETATM 20 S1 UNL 1 7.075 -0.470 0.850 1.00 0.00 S HETATM 21 C12 UNL 1 6.348 0.609 -0.252 1.00 0.00 C HETATM 22 N4 UNL 1 6.979 1.481 -1.216 1.00 0.00 N HETATM 23 N5 UNL 1 5.065 0.448 -0.006 1.00 0.00 N HETATM 24 C13 UNL 1 -1.058 0.207 -0.993 1.00 0.00 C HETATM 25 S2 UNL 1 -1.288 -1.503 -0.399 1.00 0.00 S HETATM 26 C14 UNL 1 -3.045 -1.801 -0.391 1.00 0.00 C HETATM 27 H1 UNL 1 -5.051 -2.872 -0.578 1.00 0.00 H HETATM 28 H2 UNL 1 -6.793 -2.279 -0.668 1.00 0.00 H HETATM 29 H3 UNL 1 -6.069 -0.063 -0.520 1.00 0.00 H HETATM 30 H4 UNL 1 -4.176 3.877 0.342 1.00 0.00 H HETATM 31 H5 UNL 1 0.610 1.590 -0.953 1.00 0.00 H HETATM 32 H6 UNL 1 0.295 -0.490 1.274 1.00 0.00 H HETATM 33 H7 UNL 1 1.093 -2.543 2.252 1.00 0.00 H HETATM 34 H8 UNL 1 5.527 -1.828 2.385 1.00 0.00 H HETATM 35 H9 UNL 1 6.413 1.824 -1.994 1.00 0.00 H HETATM 36 H10 UNL 1 7.960 1.720 -1.085 1.00 0.00 H HETATM 37 H11 UNL 1 -1.080 0.343 -2.071 1.00 0.00 H HETATM 38 H12 UNL 1 -3.298 -2.342 -1.340 1.00 0.00 H HETATM 39 H13 UNL 1 -3.385 -2.401 0.485 1.00 0.00 H CONECT 1 2 2 27 28 CONECT 2 3 29 CONECT 3 4 4 26 CONECT 4 5 8 CONECT 5 6 6 7 CONECT 7 30 CONECT 8 9 24 CONECT 9 10 10 11 CONECT 11 12 24 31 CONECT 12 13 32 CONECT 13 14 14 15 CONECT 15 16 16 18 CONECT 16 17 CONECT 17 33 CONECT 18 19 19 23 CONECT 19 20 34 CONECT 20 21 CONECT 21 22 23 23 CONECT 22 35 36 CONECT 24 25 37 CONECT 25 26 CONECT 26 38 39 END