COMPND HMDB0304640 HETATM 1 CL1 UNL 1 5.062 2.173 -0.508 1.00 0.00 CL HETATM 2 C1 UNL 1 3.602 1.211 -0.322 1.00 0.00 C HETATM 3 C2 UNL 1 2.835 0.863 -1.415 1.00 0.00 C HETATM 4 C3 UNL 1 1.689 0.108 -1.274 1.00 0.00 C HETATM 5 C4 UNL 1 1.247 -0.339 -0.048 1.00 0.00 C HETATM 6 C5 UNL 1 0.015 -1.152 0.108 1.00 0.00 C HETATM 7 C6 UNL 1 -1.201 -0.343 0.305 1.00 0.00 C HETATM 8 C7 UNL 1 -1.629 0.022 1.574 1.00 0.00 C HETATM 9 C8 UNL 1 -2.763 0.778 1.789 1.00 0.00 C HETATM 10 C9 UNL 1 -3.521 1.203 0.719 1.00 0.00 C HETATM 11 CL2 UNL 1 -4.976 2.169 0.938 1.00 0.00 CL HETATM 12 C10 UNL 1 -3.120 0.854 -0.559 1.00 0.00 C HETATM 13 C11 UNL 1 -1.984 0.098 -0.757 1.00 0.00 C HETATM 14 C12 UNL 1 -0.136 -2.152 -1.022 1.00 0.00 C HETATM 15 CL3 UNL 1 1.244 -3.269 -1.071 1.00 0.00 CL HETATM 16 CL4 UNL 1 -1.598 -3.144 -0.781 1.00 0.00 CL HETATM 17 C13 UNL 1 2.027 0.016 1.054 1.00 0.00 C HETATM 18 C14 UNL 1 3.171 0.770 0.910 1.00 0.00 C HETATM 19 H1 UNL 1 3.174 1.209 -2.384 1.00 0.00 H HETATM 20 H2 UNL 1 1.098 -0.153 -2.162 1.00 0.00 H HETATM 21 H3 UNL 1 0.139 -1.770 1.040 1.00 0.00 H HETATM 22 H4 UNL 1 -1.062 -0.290 2.460 1.00 0.00 H HETATM 23 H5 UNL 1 -3.082 1.054 2.796 1.00 0.00 H HETATM 24 H6 UNL 1 -3.741 1.204 -1.396 1.00 0.00 H HETATM 25 H7 UNL 1 -1.701 -0.155 -1.767 1.00 0.00 H HETATM 26 H8 UNL 1 -0.245 -1.675 -2.010 1.00 0.00 H HETATM 27 H9 UNL 1 1.687 -0.330 2.015 1.00 0.00 H HETATM 28 H10 UNL 1 3.767 1.039 1.768 1.00 0.00 H CONECT 1 2 CONECT 2 3 3 18 CONECT 3 4 19 CONECT 4 5 5 20 CONECT 5 6 17 CONECT 6 7 14 21 CONECT 7 8 8 13 CONECT 8 9 22 CONECT 9 10 10 23 CONECT 10 11 12 CONECT 12 13 13 24 CONECT 13 25 CONECT 14 15 16 26 CONECT 17 18 18 27 CONECT 18 28 END