COMPND HMDB0243689 HETATM 1 CL1 UNL 1 6.933 -0.780 1.038 1.00 0.00 CL HETATM 2 C1 UNL 1 5.227 -0.409 0.722 1.00 0.00 C HETATM 3 C2 UNL 1 4.256 -0.968 1.509 1.00 0.00 C HETATM 4 C3 UNL 1 2.922 -0.749 1.276 1.00 0.00 C HETATM 5 C4 UNL 1 2.478 0.081 0.206 1.00 0.00 C HETATM 6 C5 UNL 1 1.084 0.534 0.196 1.00 0.00 C HETATM 7 O1 UNL 1 0.252 -0.332 -0.532 1.00 0.00 O HETATM 8 C6 UNL 1 -1.079 -0.128 -0.126 1.00 0.00 C HETATM 9 C7 UNL 1 -2.105 -1.111 -0.250 1.00 0.00 C HETATM 10 N1 UNL 1 -2.134 -2.390 0.365 1.00 0.00 N HETATM 11 C8 UNL 1 -1.616 -3.576 -0.102 1.00 0.00 C HETATM 12 C9 UNL 1 -1.960 -4.586 0.762 1.00 0.00 C HETATM 13 N2 UNL 1 -2.662 -4.068 1.732 1.00 0.00 N HETATM 14 C10 UNL 1 -2.784 -2.729 1.511 1.00 0.00 C HETATM 15 C11 UNL 1 -1.587 1.286 -0.354 1.00 0.00 C HETATM 16 C12 UNL 1 -2.154 1.987 0.715 1.00 0.00 C HETATM 17 C13 UNL 1 -2.511 3.313 0.564 1.00 0.00 C HETATM 18 C14 UNL 1 -2.330 3.980 -0.586 1.00 0.00 C HETATM 19 CL2 UNL 1 -2.748 5.666 -0.837 1.00 0.00 CL HETATM 20 C15 UNL 1 -1.753 3.297 -1.684 1.00 0.00 C HETATM 21 C16 UNL 1 -1.410 1.950 -1.495 1.00 0.00 C HETATM 22 CL3 UNL 1 -0.732 1.088 -2.852 1.00 0.00 CL HETATM 23 C17 UNL 1 3.526 0.610 -0.540 1.00 0.00 C HETATM 24 CL4 UNL 1 3.025 1.603 -1.952 1.00 0.00 CL HETATM 25 C18 UNL 1 4.873 0.397 -0.322 1.00 0.00 C HETATM 26 H1 UNL 1 4.619 -1.590 2.371 1.00 0.00 H HETATM 27 H2 UNL 1 2.149 -1.183 1.938 1.00 0.00 H HETATM 28 H3 UNL 1 0.680 0.521 1.269 1.00 0.00 H HETATM 29 H4 UNL 1 1.007 1.541 -0.155 1.00 0.00 H HETATM 30 H5 UNL 1 -0.856 0.054 1.020 1.00 0.00 H HETATM 31 H6 UNL 1 -2.220 -1.393 -1.375 1.00 0.00 H HETATM 32 H7 UNL 1 -3.106 -0.638 0.025 1.00 0.00 H HETATM 33 H8 UNL 1 -1.058 -3.582 -1.010 1.00 0.00 H HETATM 34 H9 UNL 1 -1.648 -5.638 0.662 1.00 0.00 H HETATM 35 H10 UNL 1 -3.330 -2.050 2.133 1.00 0.00 H HETATM 36 H11 UNL 1 -2.302 1.481 1.664 1.00 0.00 H HETATM 37 H12 UNL 1 -2.941 3.846 1.436 1.00 0.00 H HETATM 38 H13 UNL 1 -1.627 3.802 -2.608 1.00 0.00 H HETATM 39 H14 UNL 1 5.622 0.865 -0.985 1.00 0.00 H CONECT 1 2 CONECT 2 3 3 25 CONECT 3 4 26 CONECT 4 5 5 27 CONECT 5 6 23 CONECT 6 7 28 29 CONECT 7 8 CONECT 8 9 15 30 CONECT 9 10 31 32 CONECT 10 11 14 CONECT 11 12 12 33 CONECT 12 13 34 CONECT 13 14 14 CONECT 14 35 CONECT 15 16 16 21 CONECT 16 17 36 CONECT 17 18 18 37 CONECT 18 19 20 CONECT 20 21 21 38 CONECT 21 22 CONECT 23 24 25 25 CONECT 25 39 END