0R0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAC | trip | 1.14Å | 1.14Å | |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.40Å | 1.38Å | Aromatic |
| CAC | CAI | sing | 1.43Å | 1.42Å | |
| CAE | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.40Å | 1.38Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | OAB | sing | 1.36Å | 1.35Å | |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| OAB | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAC | CAI | 179.4° | 180.0° |
| CAE | CAG | CAI | 121.0° | 119.9° |
| CAG | CAE | CAD | 120.3° | 120.2° |
| CAE | CAG | H1 | 119.5° | 120.0° |
| CAG | CAE | H2 | 119.8° | 119.9° |
| CAG | CAI | CAC | 121.2° | 120.2° |
| CAG | CAI | CAH | 118.8° | 119.6° |
| CAI | CAG | H1 | 119.5° | 120.1° |
| CAC | CAI | CAH | 120.0° | 120.2° |
| CAE | CAD | CAF | 119.3° | 120.4° |
| CAD | CAE | H2 | 119.8° | 119.9° |
| CAE | CAD | H3 | 120.4° | 119.7° |
| CAI | CAH | CAF | 121.1° | 119.7° |
| CAI | CAH | OAB | 118.8° | 120.2° |
| CAD | CAF | CAH | 119.6° | 120.1° |
| CAF | CAD | H3 | 120.3° | 119.9° |
| CAD | CAF | H4 | 120.2° | 119.9° |
| CAF | CAH | OAB | 120.1° | 120.1° |
| CAH | CAF | H4 | 120.2° | 120.0° |
| CAH | OAB | H5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAC | CAI | CAG | 142.1° | 84.0° |
| NAA | CAC | CAI | CAH | 39.3° | 96.4° |
| CAE | CAG | CAI | H1 | 180.0° | 180.0° |
| CAE | CAG | CAI | CAC | 179.0° | 180.0° |
| CAG | CAE | CAD | H2 | 180.0° | 180.0° |
| CAE | CAG | CAI | CAH | 0.5° | 0.3° |
| CAG | CAE | CAD | CAF | 0.9° | 0.0° |
| CAG | CAE | CAD | H3 | 179.1° | 179.9° |
| CAG | CAI | CAC | CAH | 178.5° | 179.6° |
| CAI | CAG | CAE | CAD | 1.0° | 0.0° |
| CAG | CAI | CAH | CAF | 0.1° | 0.7° |
| CAG | CAI | CAH | OAB | 178.5° | 179.7° |
| CAI | CAG | CAE | H2 | 179.0° | 180.0° |
| CAC | CAI | CAH | CAF | 178.5° | 179.7° |
| CAC | CAI | CAH | OAB | 2.9° | 0.1° |
| CAC | CAI | CAG | H1 | 1.0° | 0.1° |
| CAE | CAD | CAF | H3 | 180.0° | 179.9° |
| CAE | CAD | CAF | CAH | 0.3° | 0.3° |
| CAD | CAE | CAG | H1 | 179.1° | 180.0° |
| CAE | CAD | CAF | H4 | 179.7° | 180.0° |
| CAI | CAH | CAF | CAD | 0.2° | 0.7° |
| CAI | CAH | CAF | OAB | 178.6° | 179.6° |
| CAH | CAI | CAG | H1 | 179.6° | 179.7° |
| CAI | CAH | CAF | H4 | 179.8° | 179.7° |
| CAI | CAH | OAB | H5 | 180.0° | 89.9° |
| CAD | CAF | CAH | H4 | 180.0° | 179.6° |
| CAD | CAF | CAH | OAB | 178.4° | 179.7° |
| CAF | CAD | CAE | H2 | 179.1° | 180.0° |
| CAH | CAF | CAD | H3 | 179.7° | 179.7° |
| CAF | CAH | OAB | H5 | 1.4° | 89.7° |
| OAB | CAH | CAF | H4 | 1.6° | 0.1° |
| H1 | CAG | CAE | H2 | 1.0° | 0.0° |
| H2 | CAE | CAD | H3 | 0.9° | 0.0° |
| H3 | CAD | CAF | H4 | 0.3° | 0.1° |
