| COMPND 6a1c_ligand |
| HETATM 1 C1 UNL 1 3.967 -0.742 -1.868 1.00 0.00 C |
| HETATM 2 C2 UNL 1 2.910 -0.722 -2.866 1.00 0.00 C |
| HETATM 3 C3 UNL 1 1.678 -0.379 -2.590 1.00 0.00 C |
| HETATM 4 C4 UNL 1 1.311 0.001 -1.248 1.00 0.00 C |
| HETATM 5 C5 UNL 1 2.234 -0.001 -0.305 1.00 0.00 C |
| HETATM 6 C6 UNL 1 3.642 -0.364 -0.493 1.00 0.00 C |
| HETATM 7 C7 UNL 1 5.299 0.245 1.000 1.00 0.00 C |
| HETATM 8 C8 UNL 1 -0.058 0.387 -0.914 1.00 0.00 C |
| HETATM 9 C9 UNL 1 -2.052 2.363 0.908 1.00 0.00 C |
| HETATM 10 BR1 UNL 1 0.338 -0.376 -3.956 1.00 0.00 BR |
| HETATM 11 O1 UNL 1 4.504 0.645 -0.059 1.00 0.00 O |
| HETATM 12 O2 UNL 1 5.140 -1.077 -2.171 1.00 0.00 O |
| HETATM 13 N1 UNL 1 -0.389 0.727 0.283 1.00 0.00 N |
| HETATM 14 N2 UNL 1 -1.687 1.101 0.635 1.00 0.00 N |
| HETATM 15 C10 UNL 1 -2.749 0.303 0.758 1.00 0.00 C |
| HETATM 16 N3 UNL 1 -3.772 1.098 1.111 1.00 0.00 N |
| HETATM 17 N4 UNL 1 -3.363 2.349 1.205 1.00 0.00 N |
| HETATM 18 S1 UNL 1 -0.976 3.810 0.880 1.00 0.00 S |
| HETATM 19 C11 UNL 1 -1.900 5.285 1.312 1.00 0.00 C |
| HETATM 20 C12 UNL 1 -2.841 -1.137 0.562 1.00 0.00 C |
| HETATM 21 C13 UNL 1 -3.670 -1.702 -0.390 1.00 0.00 C |
| HETATM 22 C14 UNL 1 -3.782 -3.060 -0.601 1.00 0.00 C |
| HETATM 23 C15 UNL 1 -3.015 -3.890 0.193 1.00 0.00 C |
| HETATM 24 C16 UNL 1 -2.178 -3.354 1.153 1.00 0.00 C |
| HETATM 25 C17 UNL 1 -2.084 -2.004 1.344 1.00 0.00 C |
| HETATM 26 H1 UNL 1 3.159 -1.002 -3.879 1.00 0.00 H |
| HETATM 27 H2 UNL 1 1.921 0.292 0.696 1.00 0.00 H |
| HETATM 28 H3 UNL 1 3.845 -1.255 0.168 1.00 0.00 H |
| HETATM 29 H4 UNL 1 4.703 -0.057 1.886 1.00 0.00 H |
| HETATM 30 H5 UNL 1 6.010 -0.573 0.702 1.00 0.00 H |
| HETATM 31 H6 UNL 1 5.927 1.106 1.284 1.00 0.00 H |
| HETATM 32 H7 UNL 1 -0.790 0.380 -1.704 1.00 0.00 H |
| HETATM 33 H8 UNL 1 -2.196 5.261 2.373 1.00 0.00 H |
| HETATM 34 H9 UNL 1 -1.376 6.199 1.002 1.00 0.00 H |
| HETATM 35 H10 UNL 1 -2.867 5.260 0.730 1.00 0.00 H |
| HETATM 36 H11 UNL 1 -4.274 -1.024 -1.013 1.00 0.00 H |
| HETATM 37 H12 UNL 1 -4.445 -3.460 -1.360 1.00 0.00 H |
| HETATM 38 H13 UNL 1 -3.104 -4.953 0.026 1.00 0.00 H |
| HETATM 39 H14 UNL 1 -1.593 -4.068 1.753 1.00 0.00 H |
| HETATM 40 H15 UNL 1 -1.425 -1.611 2.098 1.00 0.00 H |
| CONECT 1 2 6 12 12 |
| CONECT 2 3 3 26 |
| CONECT 3 4 10 |
| CONECT 4 5 5 8 |
| CONECT 5 6 27 |
| CONECT 6 11 28 |
| CONECT 7 11 29 30 31 |
| CONECT 8 13 13 32 |
| CONECT 9 14 17 17 18 |
| CONECT 13 14 |
| CONECT 14 15 |
| CONECT 15 16 16 20 |
| CONECT 16 17 |
| CONECT 18 19 |
| CONECT 19 33 34 35 |
| CONECT 20 21 21 25 |
| CONECT 21 22 36 |
| CONECT 22 23 23 37 |
| CONECT 23 24 38 |
| CONECT 24 25 25 39 |
| CONECT 25 40 |
| END |
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