COMPND HMDB0015257 HETATM 1 C1 UNL 1 5.804 -0.003 0.603 1.00 0.00 C HETATM 2 O1 UNL 1 4.917 -0.186 -0.472 1.00 0.00 O HETATM 3 C2 UNL 1 3.551 -0.123 -0.265 1.00 0.00 C HETATM 4 C3 UNL 1 2.644 -0.298 -1.299 1.00 0.00 C HETATM 5 C4 UNL 1 1.274 -0.234 -1.084 1.00 0.00 C HETATM 6 C5 UNL 1 0.776 0.006 0.162 1.00 0.00 C HETATM 7 C6 UNL 1 -0.640 0.094 0.499 1.00 0.00 C HETATM 8 C7 UNL 1 -1.377 1.118 -0.279 1.00 0.00 C HETATM 9 O2 UNL 1 -0.952 2.147 -0.866 1.00 0.00 O HETATM 10 C8 UNL 1 -2.787 0.689 -0.243 1.00 0.00 C HETATM 11 C9 UNL 1 -3.985 1.381 -0.393 1.00 0.00 C HETATM 12 C10 UNL 1 -5.208 0.748 -0.317 1.00 0.00 C HETATM 13 C11 UNL 1 -5.214 -0.612 -0.084 1.00 0.00 C HETATM 14 C12 UNL 1 -4.019 -1.311 0.068 1.00 0.00 C HETATM 15 C13 UNL 1 -2.789 -0.671 -0.009 1.00 0.00 C HETATM 16 C14 UNL 1 -1.401 -1.143 0.108 1.00 0.00 C HETATM 17 O3 UNL 1 -0.999 -2.299 -0.080 1.00 0.00 O HETATM 18 C15 UNL 1 1.705 0.179 1.185 1.00 0.00 C HETATM 19 C16 UNL 1 3.050 0.116 0.976 1.00 0.00 C HETATM 20 H1 UNL 1 6.848 -0.199 0.267 1.00 0.00 H HETATM 21 H2 UNL 1 5.545 -0.657 1.470 1.00 0.00 H HETATM 22 H3 UNL 1 5.674 1.039 0.970 1.00 0.00 H HETATM 23 H4 UNL 1 3.036 -0.489 -2.289 1.00 0.00 H HETATM 24 H5 UNL 1 0.580 -0.374 -1.912 1.00 0.00 H HETATM 25 H6 UNL 1 -0.809 0.293 1.554 1.00 0.00 H HETATM 26 H7 UNL 1 -3.966 2.435 -0.574 1.00 0.00 H HETATM 27 H8 UNL 1 -6.153 1.261 -0.430 1.00 0.00 H HETATM 28 H9 UNL 1 -6.151 -1.174 -0.012 1.00 0.00 H HETATM 29 H10 UNL 1 -4.022 -2.368 0.249 1.00 0.00 H HETATM 30 H11 UNL 1 1.349 0.372 2.193 1.00 0.00 H HETATM 31 H12 UNL 1 3.720 0.263 1.837 1.00 0.00 H CONECT 1 2 20 21 22 CONECT 2 3 CONECT 3 4 4 19 CONECT 4 5 23 CONECT 5 6 6 24 CONECT 6 7 18 CONECT 7 8 16 25 CONECT 8 9 9 10 CONECT 10 11 11 15 CONECT 11 12 26 CONECT 12 13 13 27 CONECT 13 14 28 CONECT 14 15 15 29 CONECT 15 16 CONECT 16 17 17 CONECT 18 19 19 30 CONECT 19 31 END