COMPND HMDB0245372 HETATM 1 CL1 UNL 1 5.209 0.135 -0.126 1.00 0.00 CL HETATM 2 C1 UNL 1 3.470 0.047 -0.081 1.00 0.00 C HETATM 3 C2 UNL 1 2.792 1.027 0.623 1.00 0.00 C HETATM 4 C3 UNL 1 1.417 0.994 0.682 1.00 0.00 C HETATM 5 CL2 UNL 1 0.588 2.267 1.599 1.00 0.00 CL HETATM 6 C4 UNL 1 0.741 -0.020 0.037 1.00 0.00 C HETATM 7 C5 UNL 1 -0.707 -0.023 0.115 1.00 0.00 C HETATM 8 C6 UNL 1 -1.425 1.131 -0.132 1.00 0.00 C HETATM 9 C7 UNL 1 -2.801 1.157 -0.069 1.00 0.00 C HETATM 10 CL3 UNL 1 -3.765 2.582 -0.370 1.00 0.00 CL HETATM 11 C8 UNL 1 -3.469 -0.028 0.256 1.00 0.00 C HETATM 12 CL4 UNL 1 -5.218 -0.024 0.342 1.00 0.00 CL HETATM 13 C9 UNL 1 -2.748 -1.181 0.502 1.00 0.00 C HETATM 14 C10 UNL 1 -1.368 -1.192 0.435 1.00 0.00 C HETATM 15 CL5 UNL 1 -0.515 -2.707 0.765 1.00 0.00 CL HETATM 16 C11 UNL 1 1.399 -1.002 -0.666 1.00 0.00 C HETATM 17 C12 UNL 1 2.775 -0.959 -0.719 1.00 0.00 C HETATM 18 CL6 UNL 1 3.664 -2.176 -1.594 1.00 0.00 CL HETATM 19 H1 UNL 1 3.337 1.830 1.133 1.00 0.00 H HETATM 20 H2 UNL 1 -0.963 2.075 -0.392 1.00 0.00 H HETATM 21 H3 UNL 1 -3.253 -2.126 0.758 1.00 0.00 H HETATM 22 H4 UNL 1 0.840 -1.808 -1.179 1.00 0.00 H CONECT 1 2 CONECT 2 3 3 17 CONECT 3 4 19 CONECT 4 5 6 6 CONECT 6 7 16 CONECT 7 8 8 14 CONECT 8 9 20 CONECT 9 10 11 11 CONECT 11 12 13 CONECT 13 14 14 21 CONECT 14 15 CONECT 16 17 17 22 CONECT 17 18 END