261
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAG | sing | 1.53Å | 1.54Å | |
| CAG | OAH | sing | 1.43Å | 1.47Å | |
| OAH | CAJ | sing | 1.36Å | 1.36Å | |
| CAJ | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | OAB | sing | 1.36Å | 1.36Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAG | OAH | 107.0° | 109.4° |
| CAG | CAA | HAA1 | 109.5° | 109.5° |
| CAG | CAA | HAA2 | 109.5° | 109.5° |
| CAG | CAA | HAA3 | 109.4° | 109.5° |
| CAA | CAG | HAG1 | 110.3° | 109.4° |
| CAA | CAG | HAG2 | 110.9° | 109.4° |
| CAG | OAH | CAJ | 115.6° | 117.0° |
| OAH | CAG | HAG1 | 110.3° | 109.5° |
| OAH | CAG | HAG2 | 110.8° | 109.5° |
| OAH | CAJ | CAF | 123.4° | 120.0° |
| OAH | CAJ | CAI | 117.1° | 120.1° |
| CAF | CAJ | CAI | 119.5° | 119.9° |
| CAJ | CAF | CAD | 120.5° | 120.0° |
| CAJ | CAF | HAF | 119.8° | 120.0° |
| CAJ | CAI | CAE | 120.0° | 119.9° |
| CAJ | CAI | OAB | 119.3° | 120.0° |
| CAF | CAD | CAC | 119.9° | 120.2° |
| CAD | CAF | HAF | 119.8° | 120.1° |
| CAF | CAD | HAD | 120.0° | 119.9° |
| CAD | CAC | CAE | 119.9° | 120.1° |
| CAC | CAD | HAD | 120.1° | 119.9° |
| CAD | CAC | HAC | 120.0° | 120.0° |
| CAC | CAE | CAI | 120.2° | 120.0° |
| CAE | CAC | HAC | 120.0° | 119.9° |
| CAC | CAE | HAE | 119.9° | 120.0° |
| CAE | CAI | OAB | 120.6° | 120.1° |
| CAI | CAE | HAE | 119.9° | 120.0° |
| CAI | OAB | HAB | 109.5° | 114.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAG1 | CAG | HAG2 | 107.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAG | OAH | HAG1 | 120.0° | 119.9° |
| CAA | CAG | OAH | HAG2 | 121.0° | 120.0° |
| CAA | CAG | OAH | CAJ | 154.6° | 180.0° |
| CAG | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAG | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAG | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAG | HAG1 | HAG2 | 121.0° | 119.9° |
| CAG | OAH | CAJ | CAF | 28.7° | 0.0° |
| CAG | OAH | CAJ | CAI | 152.7° | 179.7° |
| OAH | CAG | CAA | HAA1 | 119.9° | 60.0° |
| OAH | CAG | CAA | HAA2 | 0.2° | 180.0° |
| OAH | CAG | CAA | HAA3 | 120.2° | 60.0° |
| OAH | CAG | HAG1 | HAG2 | 121.0° | 120.1° |
| OAH | CAJ | CAF | CAI | 178.5° | 179.7° |
| OAH | CAJ | CAF | CAD | 179.5° | 180.0° |
| OAH | CAJ | CAI | CAE | 179.8° | 179.7° |
| OAH | CAJ | CAI | OAB | 0.2° | 0.0° |
| CAJ | OAH | CAG | HAG1 | 85.4° | 60.1° |
| CAJ | OAH | CAG | HAG2 | 33.6° | 60.0° |
| OAH | CAJ | CAF | HAF | 0.5° | 0.1° |
| CAJ | CAF | CAD | HAF | 180.0° | 179.9° |
| CAJ | CAF | CAD | CAC | 0.6° | 0.0° |
| CAF | CAJ | CAI | CAE | 1.6° | 0.6° |
| CAF | CAJ | CAI | OAB | 178.8° | 179.7° |
| CAJ | CAF | CAD | HAD | 179.4° | 180.0° |
| CAI | CAJ | CAF | CAD | 0.9° | 0.3° |
| CAJ | CAI | CAE | CAC | 1.9° | 0.6° |
| CAJ | CAI | CAE | OAB | 179.6° | 179.7° |
| CAI | CAJ | CAF | HAF | 179.0° | 179.7° |
| CAJ | CAI | CAE | HAE | 178.1° | 179.7° |
| CAJ | CAI | OAB | HAB | 124.6° | 90.0° |
| CAF | CAD | CAC | HAD | 180.0° | 180.0° |
| CAF | CAD | CAC | CAE | 0.9° | 0.0° |
| CAF | CAD | CAC | HAC | 179.1° | 180.0° |
| CAD | CAC | CAE | HAC | 180.0° | 180.0° |
| CAD | CAC | CAE | CAI | 1.6° | 0.2° |
| CAC | CAD | CAF | HAF | 179.4° | 179.9° |
| CAD | CAC | CAE | HAE | 178.4° | 180.0° |
| CAC | CAE | CAI | HAE | 180.0° | 179.8° |
| CAC | CAE | CAI | OAB | 178.5° | 179.7° |
| CAE | CAC | CAD | HAD | 179.1° | 180.0° |
| CAI | CAE | CAC | HAC | 178.5° | 179.8° |
| CAE | CAI | OAB | HAB | 55.8° | 89.7° |
| OAB | CAI | CAE | HAE | 1.5° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAA1 | CAA | CAG | HAG1 | 0.1° | 180.0° |
| HAA1 | CAA | CAG | HAG2 | 119.2° | 60.0° |
| HAA2 | CAA | CAG | HAG1 | 120.1° | 60.0° |
| HAA2 | CAA | CAG | HAG2 | 120.8° | 60.0° |
| HAA3 | CAA | CAG | HAG1 | 119.8° | 60.0° |
| HAA3 | CAA | CAG | HAG2 | 0.8° | 180.0° |
| HAF | CAF | CAD | HAD | 0.6° | 0.0° |
| HAD | CAD | CAC | HAC | 0.9° | 0.0° |
| HAC | CAC | CAE | HAE | 1.5° | 0.0° |






