5JD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAG | sing | 1.36Å | 1.37Å | |
| CAG | CAF | doub | 1.39Å | 1.42Å | Aromatic |
| CAG | CAD | sing | 1.39Å | 1.34Å | Aromatic |
| CAF | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CL1 | sing | 1.74Å | 1.70Å | |
| CAI | CAH | doub | 1.38Å | 1.35Å | Aromatic |
| CAE | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAH | CL2 | sing | 1.74Å | 1.83Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| OAA | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAG | CAF | 118.2° | 120.1° |
| OAA | CAG | CAD | 117.1° | 120.0° |
| CAG | OAA | H4 | 109.5° | 114.0° |
| CAF | CAG | CAD | 124.6° | 119.9° |
| CAG | CAF | CAI | 115.5° | 120.0° |
| CAG | CAF | H1 | 122.2° | 120.0° |
| CAG | CAD | CAE | 119.6° | 120.0° |
| CAG | CAD | H3 | 120.2° | 120.0° |
| CAF | CAI | CL1 | 114.0° | 120.0° |
| CAF | CAI | CAH | 120.2° | 120.0° |
| CAI | CAF | H1 | 122.2° | 120.1° |
| CAD | CAE | CAH | 116.0° | 120.1° |
| CAD | CAE | H2 | 122.0° | 120.0° |
| CAE | CAD | H3 | 120.2° | 120.0° |
| CL1 | CAI | CAH | 125.8° | 120.0° |
| CAI | CAH | CAE | 123.9° | 120.1° |
| CAI | CAH | CL2 | 115.7° | 120.0° |
| CAE | CAH | CL2 | 120.4° | 120.0° |
| CAH | CAE | H2 | 122.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAG | CAF | CAD | 178.6° | 179.5° |
| OAA | CAG | CAF | CAI | 178.0° | 180.0° |
| OAA | CAG | CAD | CAE | 177.9° | 180.0° |
| OAA | CAG | CAF | H1 | 1.9° | 0.3° |
| OAA | CAG | CAD | H3 | 2.1° | 0.2° |
| CAG | CAF | CAI | H1 | 180.0° | 179.7° |
| CAF | CAG | CAD | CAE | 3.5° | 0.5° |
| CAG | CAF | CAI | CL1 | 175.9° | 179.7° |
| CAG | CAF | CAI | CAH | 3.3° | 0.2° |
| CAF | CAG | CAD | H3 | 176.5° | 179.7° |
| CAF | CAG | OAA | H4 | 180.0° | 90.0° |
| CAD | CAG | CAF | CAI | 0.6° | 0.5° |
| CAG | CAD | CAE | H3 | 180.0° | 179.8° |
| CAG | CAD | CAE | CAH | 4.5° | 0.2° |
| CAD | CAG | CAF | H1 | 179.4° | 179.8° |
| CAG | CAD | CAE | H2 | 175.5° | 179.8° |
| CAD | CAG | OAA | H4 | 1.3° | 89.5° |
| CAF | CAI | CL1 | CAH | 179.2° | 179.9° |
| CAF | CAI | CAH | CAE | 2.2° | 0.1° |
| CAF | CAI | CAH | CL2 | 179.1° | 180.0° |
| CAD | CAE | CAH | CAI | 1.8° | 0.1° |
| CAD | CAE | CAH | H2 | 180.0° | 179.9° |
| CAD | CAE | CAH | CL2 | 176.8° | 180.0° |
| CL1 | CAI | CAH | CAE | 176.9° | 180.0° |
| CL1 | CAI | CAH | CL2 | 1.7° | 0.0° |
| CL1 | CAI | CAF | H1 | 4.1° | 0.0° |
| CAI | CAH | CAE | CL2 | 178.6° | 179.9° |
| CAH | CAI | CAF | H1 | 176.7° | 179.9° |
| CAI | CAH | CAE | H2 | 178.2° | 180.0° |
| CAH | CAE | CAD | H3 | 175.5° | 180.0° |
| CL2 | CAH | CAE | H2 | 3.2° | 0.0° |
| H2 | CAE | CAD | H3 | 4.5° | 0.1° |
