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Equilibrium angles for the eight restrained dihedral angles of the ligand SB203580.
| ai-aj-ak-al | φ(°) |
|---|---|
| CB5-CB4-CC5-CC4 | 42.99 |
| CB5-CB4-CC5-NC1 | −138.65 |
| CB3-CB4-CC5-CC4 | −136.12 |
| CB3-CB4-CC5-NC1 | 42.23 |
| CD1-CD6-CC4-NC3 | 56.05 |
| CD1-CD6-CC4-CC5 | −124.05 |
| CD5-CD6-CC4-NC3 | −122.52 |
| CD5-CD6-CC4-CC5 | 57.38 |
The atom names are consistent with the crystal structure (PDB code: 1A9U).
