5JC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | CAI | sing | 1.74Å | 0.00Å | |
| OAA | CAG | sing | 1.36Å | 0.00Å | |
| CAI | CAG | doub | 1.39Å | 0.00Å | Aromatic |
| CAI | CAF | sing | 1.38Å | 0.00Å | Aromatic |
| CAG | CAD | sing | 1.39Å | 0.00Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 0.00Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 0.00Å | Aromatic |
| CAH | CAE | sing | 1.38Å | 0.00Å | Aromatic |
| CAH | CL2 | sing | 1.74Å | 0.00Å | |
| CAF | H1 | sing | 1.08Å | 0.00Å | |
| CAE | H2 | sing | 1.08Å | 0.00Å | |
| CAD | H3 | sing | 1.08Å | 0.00Å | |
| OAA | H4 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | CAI | CAG | 90.0° | 120.1° |
| CL1 | CAI | CAF | 90.0° | 120.0° |
| OAA | CAG | CAI | 90.0° | 120.0° |
| OAA | CAG | CAD | 90.0° | 120.0° |
| CAG | OAA | H4 | 90.0° | 114.0° |
| CAG | CAI | CAF | 90.0° | 119.9° |
| CAI | CAG | CAD | 90.0° | 119.9° |
| CAI | CAF | CAH | 90.0° | 120.0° |
| CAI | CAF | H1 | 90.0° | 120.0° |
| CAG | CAD | CAE | 90.0° | 120.0° |
| CAG | CAD | H3 | 90.0° | 120.0° |
| CAF | CAH | CAE | 90.0° | 120.1° |
| CAF | CAH | CL2 | 90.0° | 120.0° |
| CAH | CAF | H1 | 90.0° | 120.0° |
| CAD | CAE | CAH | 90.0° | 120.1° |
| CAD | CAE | H2 | 90.0° | 120.0° |
| CAE | CAD | H3 | 90.0° | 120.1° |
| CAE | CAH | CL2 | 90.0° | 120.0° |
| CAH | CAE | H2 | 90.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | CAI | CAG | OAA | 90.0° | 0.0° |
| CL1 | CAI | CAG | CAF | 90.0° | 179.7° |
| CL1 | CAI | CAG | CAD | 90.0° | 179.7° |
| CL1 | CAI | CAF | CAH | 90.0° | 180.0° |
| CL1 | CAI | CAF | H1 | 90.0° | 0.0° |
| OAA | CAG | CAI | CAD | 90.0° | 179.7° |
| OAA | CAG | CAI | CAF | 90.0° | 179.7° |
| OAA | CAG | CAD | CAE | 90.0° | 179.7° |
| OAA | CAG | CAD | H3 | 90.0° | 0.0° |
| CAG | CAI | CAF | CAH | 90.0° | 0.3° |
| CAI | CAG | CAD | CAE | 90.0° | 0.6° |
| CAG | CAI | CAF | H1 | 90.0° | 179.7° |
| CAI | CAG | CAD | H3 | 90.0° | 179.7° |
| CAI | CAG | OAA | H4 | 90.0° | 90.0° |
| CAF | CAI | CAG | CAD | 90.0° | 0.6° |
| CAI | CAF | CAH | H1 | 90.0° | 180.0° |
| CAI | CAF | CAH | CAE | 90.0° | 0.0° |
| CAI | CAF | CAH | CL2 | 90.0° | 180.0° |
| CAG | CAD | CAE | H3 | 90.0° | 179.7° |
| CAG | CAD | CAE | CAH | 90.0° | 0.3° |
| CAG | CAD | CAE | H2 | 90.0° | 179.7° |
| CAD | CAG | OAA | H4 | 90.0° | 89.8° |
| CAF | CAH | CAE | CAD | 90.0° | 0.0° |
| CAF | CAH | CAE | CL2 | 90.0° | 180.0° |
| CAF | CAH | CAE | H2 | 90.0° | 180.0° |
| CAD | CAE | CAH | H2 | 90.0° | 180.0° |
| CAD | CAE | CAH | CL2 | 90.0° | 180.0° |
| CAE | CAH | CAF | H1 | 90.0° | 180.0° |
| CAH | CAE | CAD | H3 | 90.0° | 180.0° |
| CL2 | CAH | CAF | H1 | 90.0° | 0.1° |
| CL2 | CAH | CAE | H2 | 90.0° | 0.0° |
| H2 | CAE | CAD | H3 | 90.0° | 0.0° |
