COMPND HMDB0259186 HETATM 1 O1 UNL 1 -1.553 -0.105 -2.031 1.00 0.00 O HETATM 2 C1 UNL 1 -2.360 -0.320 -1.089 1.00 0.00 C HETATM 3 O2 UNL 1 -3.670 0.164 -1.272 1.00 0.00 O HETATM 4 C2 UNL 1 -1.965 -1.042 0.150 1.00 0.00 C HETATM 5 O3 UNL 1 -0.608 -1.386 0.017 1.00 0.00 O HETATM 6 C3 UNL 1 0.422 -0.512 -0.153 1.00 0.00 C HETATM 7 N1 UNL 1 0.198 0.832 -0.208 1.00 0.00 N HETATM 8 C4 UNL 1 1.197 1.715 -0.375 1.00 0.00 C HETATM 9 CL1 UNL 1 0.862 3.441 -0.441 1.00 0.00 CL HETATM 10 C5 UNL 1 2.488 1.243 -0.493 1.00 0.00 C HETATM 11 CL2 UNL 1 3.808 2.376 -0.711 1.00 0.00 CL HETATM 12 C6 UNL 1 2.762 -0.125 -0.441 1.00 0.00 C HETATM 13 C7 UNL 1 1.702 -0.999 -0.269 1.00 0.00 C HETATM 14 CL3 UNL 1 1.921 -2.733 -0.189 1.00 0.00 CL HETATM 15 H1 UNL 1 -4.234 0.276 -0.437 1.00 0.00 H HETATM 16 H2 UNL 1 -2.625 -1.925 0.222 1.00 0.00 H HETATM 17 H3 UNL 1 -2.104 -0.376 1.044 1.00 0.00 H HETATM 18 H4 UNL 1 3.759 -0.524 -0.530 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 15 CONECT 4 5 16 17 CONECT 5 6 CONECT 6 7 7 13 CONECT 7 8 CONECT 8 9 10 10 CONECT 10 11 12 CONECT 12 13 13 18 CONECT 13 14 END