5JF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CL2 | sing | 1.74Å | 1.77Å | |
| CAH | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAI | sing | 1.39Å | 1.38Å | Aromatic |
| CAG | OAA | sing | 1.36Å | 1.34Å | |
| CAI | CL1 | sing | 1.74Å | 1.85Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAE | 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) |
| CAF | CAD | CAE | 122.3° | 120.1° |
| CAD | CAF | CAH | 116.4° | 120.1° |
| CAD | CAF | H1 | 121.8° | 120.0° |
| CAF | CAD | H2 | 118.9° | 119.9° |
| CAD | CAE | CAG | 118.6° | 120.0° |
| CAE | CAD | H2 | 118.9° | 119.9° |
| CAD | CAE | H3 | 120.7° | 120.1° |
| CAF | CAH | CL2 | 122.5° | 120.0° |
| CAF | CAH | CAI | 122.9° | 120.0° |
| CAH | CAF | H1 | 121.8° | 119.9° |
| CAE | CAG | CAI | 121.6° | 119.8° |
| CAE | CAG | OAA | 123.4° | 120.1° |
| CAG | CAE | H3 | 120.7° | 119.9° |
| CL2 | CAH | CAI | 114.6° | 120.0° |
| CAH | CAI | CAG | 118.2° | 119.9° |
| CAH | CAI | CL1 | 122.0° | 120.1° |
| CAI | CAG | OAA | 115.0° | 120.1° |
| CAG | CAI | CL1 | 119.8° | 120.0° |
| CAG | OAA | H4 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAD | CAE | H2 | 180.0° | 180.0° |
| CAD | CAF | CAH | H1 | 180.0° | 180.0° |
| CAF | CAD | CAE | CAG | 1.1° | 0.3° |
| CAD | CAF | CAH | CL2 | 177.1° | 180.0° |
| CAD | CAF | CAH | CAI | 1.8° | 0.0° |
| CAF | CAD | CAE | H3 | 178.9° | 180.0° |
| CAE | CAD | CAF | CAH | 2.4° | 0.0° |
| CAD | CAE | CAG | H3 | 180.0° | 179.7° |
| CAD | CAE | CAG | CAI | 0.9° | 0.6° |
| CAD | CAE | CAG | OAA | 178.5° | 180.0° |
| CAE | CAD | CAF | H1 | 177.6° | 180.0° |
| CAF | CAH | CL2 | CAI | 179.0° | 180.0° |
| CAF | CAH | CAI | CAG | 0.1° | 0.2° |
| CAF | CAH | CAI | CL1 | 178.7° | 180.0° |
| CAH | CAF | CAD | H2 | 177.6° | 180.0° |
| CAE | CAG | CAI | CAH | 1.5° | 0.6° |
| CAE | CAG | CAI | OAA | 177.8° | 179.4° |
| CAE | CAG | CAI | CL1 | 179.9° | 179.7° |
| CAG | CAE | CAD | H2 | 178.9° | 179.7° |
| CAE | CAG | OAA | H4 | 180.0° | 90.0° |
| CL2 | CAH | CAI | CAG | 179.0° | 179.8° |
| CL2 | CAH | CAI | CL1 | 2.4° | 0.0° |
| CL2 | CAH | CAF | H1 | 2.9° | 0.0° |
| CAH | CAI | CAG | CL1 | 178.6° | 179.8° |
| CAH | CAI | CAG | OAA | 179.2° | 179.9° |
| CAI | CAH | CAF | H1 | 178.2° | 180.0° |
| CAI | CAG | CAE | H3 | 179.1° | 179.7° |
| CAI | CAG | OAA | H4 | 2.3° | 90.6° |
| OAA | CAG | CAI | CL1 | 2.1° | 0.3° |
| OAA | CAG | CAE | H3 | 1.5° | 0.3° |
| H1 | CAF | CAD | H2 | 2.4° | 0.0° |
| H2 | CAD | CAE | H3 | 1.1° | 0.0° |
