V55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAG | doub | 1.38Å | 1.42Å | Aromatic |
| CAK | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | OAH | sing | 1.36Å | 1.38Å | |
| CAG | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAD | sing | 1.47Å | 1.52Å | |
| CAI | CAE | doub | 1.40Å | 1.41Å | Aromatic |
| CAD | OAB | doub | 1.21Å | 1.23Å | |
| CAF | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | OAC | sing | 1.36Å | 1.36Å | |
| CAA | OAH | sing | 1.43Å | 1.42Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAK | CAJ | 121.3° | 120.0° |
| CAG | CAK | OAH | 123.4° | 119.9° |
| CAK | CAG | CAI | 117.7° | 119.8° |
| CAK | CAG | HAG | 121.1° | 120.1° |
| CAJ | CAK | OAH | 115.3° | 120.0° |
| CAK | CAJ | CAF | 121.1° | 120.2° |
| CAK | CAJ | OAC | 117.4° | 119.9° |
| CAK | OAH | CAA | 115.8° | 114.0° |
| CAG | CAI | CAD | 119.5° | 120.1° |
| CAG | CAI | CAE | 120.3° | 119.8° |
| CAI | CAG | HAG | 121.1° | 120.1° |
| CAD | CAI | CAE | 120.1° | 120.1° |
| CAI | CAD | OAB | 120.3° | 120.0° |
| CAI | CAD | HAD | 119.8° | 119.9° |
| CAI | CAE | CAF | 121.4° | 120.0° |
| CAI | CAE | HAE | 119.3° | 120.0° |
| OAB | CAD | HAD | 119.8° | 120.1° |
| CAJ | CAF | CAE | 118.1° | 120.1° |
| CAF | CAJ | OAC | 121.4° | 119.9° |
| CAJ | CAF | HAF | 120.9° | 119.9° |
| CAF | CAE | HAE | 119.3° | 120.0° |
| CAE | CAF | HAF | 121.0° | 119.9° |
| CAJ | OAC | HAC | 109.5° | 114.0° |
| OAH | CAA | HAA1 | 109.5° | 109.4° |
| OAH | CAA | HAA2 | 109.5° | 109.5° |
| OAH | CAA | HAA3 | 109.5° | 109.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAK | CAJ | OAH | 179.9° | 180.0° |
| CAK | CAG | CAI | HAG | 180.0° | 180.0° |
| CAK | CAG | CAI | CAD | 179.7° | 179.9° |
| CAK | CAG | CAI | CAE | 0.9° | 0.3° |
| CAG | CAK | CAJ | CAF | 0.2° | 0.0° |
| CAG | CAK | CAJ | OAC | 179.2° | 180.0° |
| CAG | CAK | OAH | CAA | 8.1° | 0.0° |
| CAJ | CAK | CAG | CAI | 0.4° | 0.0° |
| CAK | CAJ | CAF | OAC | 179.4° | 180.0° |
| CAK | CAJ | CAF | CAE | 0.4° | 0.3° |
| CAJ | CAK | OAH | CAA | 172.1° | 179.9° |
| CAJ | CAK | CAG | HAG | 179.5° | 180.0° |
| CAK | CAJ | CAF | HAF | 179.5° | 180.0° |
| CAK | CAJ | OAC | HAC | 50.4° | 90.0° |
| OAH | CAK | CAG | CAI | 179.7° | 180.0° |
| OAH | CAK | CAJ | CAF | 179.9° | 180.0° |
| OAH | CAK | CAJ | OAC | 0.7° | 0.0° |
| OAH | CAK | CAG | HAG | 0.3° | 0.0° |
| CAK | OAH | CAA | HAA1 | 79.5° | 180.0° |
| CAK | OAH | CAA | HAA2 | 40.5° | 59.9° |
| CAK | OAH | CAA | HAA3 | 160.5° | 60.0° |
| CAG | CAI | CAD | CAE | 178.9° | 179.6° |
| CAG | CAI | CAD | OAB | 176.8° | 179.7° |
| CAG | CAI | CAE | CAF | 1.1° | 0.6° |
| CAG | CAI | CAD | HAD | 3.2° | 0.4° |
| CAG | CAI | CAE | HAE | 178.9° | 179.7° |
| CAI | CAD | OAB | HAD | 180.0° | 179.9° |
| CAD | CAI | CAE | CAF | 180.0° | 179.8° |
| CAD | CAI | CAG | HAG | 0.2° | 0.1° |
| CAD | CAI | CAE | HAE | 0.0° | 0.0° |
| CAE | CAI | CAD | OAB | 2.0° | 0.1° |
| CAI | CAE | CAF | CAJ | 0.9° | 0.6° |
| CAI | CAE | CAF | HAE | 180.0° | 179.8° |
| CAE | CAI | CAG | HAG | 179.1° | 179.8° |
| CAE | CAI | CAD | HAD | 177.9° | 180.0° |
| CAI | CAE | CAF | HAF | 179.1° | 179.8° |
| CAJ | CAF | CAE | HAF | 180.0° | 179.7° |
| CAJ | CAF | CAE | HAE | 179.1° | 179.7° |
| CAF | CAJ | OAC | HAC | 129.0° | 90.0° |
| CAE | CAF | CAJ | OAC | 178.9° | 179.7° |
| OAC | CAJ | CAF | HAF | 1.1° | 0.1° |
| OAH | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAH | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| OAH | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| HAE | CAE | CAF | HAF | 0.9° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 119.9° | 120.1° |
