5RG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAI | sing | 1.39Å | 1.46Å | |
| OAB | CAH | sing | 1.35Å | 1.40Å | |
| OAC | CAH | doub | 1.22Å | 1.40Å | |
| FAD | CAJ | sing | 1.35Å | 1.37Å | |
| CAE | CAF | doub | 1.38Å | 1.60Å | Aromatic |
| CAE | CAI | sing | 1.39Å | 1.58Å | Aromatic |
| CAF | CAJ | sing | 1.39Å | 1.58Å | Aromatic |
| CAG | CAJ | doub | 1.38Å | 1.59Å | Aromatic |
| CAG | CAK | sing | 1.40Å | 1.57Å | Aromatic |
| CAH | CAK | sing | 1.47Å | 1.55Å | |
| CAI | CAK | doub | 1.40Å | 1.60Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAI | CAE | 120.2° | 120.2° |
| NAA | CAI | CAK | 120.3° | 120.1° |
| CAI | NAA | HNAA | 109.5° | 120.0° |
| CAI | NAA | HNAB | 109.4° | 120.0° |
| OAB | CAH | OAC | 111.1° | 120.0° |
| OAB | CAH | CAK | 109.6° | 120.0° |
| CAH | OAB | HOAB | 109.5° | 117.0° |
| OAC | CAH | CAK | 109.7° | 120.0° |
| FAD | CAJ | CAF | 120.2° | 119.8° |
| FAD | CAJ | CAG | 119.7° | 119.9° |
| CAF | CAE | CAI | 119.8° | 120.1° |
| CAE | CAF | CAJ | 120.4° | 120.4° |
| CAF | CAE | HAE | 120.1° | 120.0° |
| CAE | CAF | HAF | 119.8° | 119.8° |
| CAE | CAI | CAK | 119.4° | 119.7° |
| CAI | CAE | HAE | 120.1° | 119.9° |
| CAF | CAJ | CAG | 120.1° | 120.3° |
| CAJ | CAF | HAF | 119.8° | 119.8° |
| CAJ | CAG | CAK | 119.4° | 119.9° |
| CAJ | CAG | HAG | 120.3° | 120.1° |
| CAG | CAK | CAH | 118.7° | 120.2° |
| CAG | CAK | CAI | 121.0° | 119.6° |
| CAK | CAG | HAG | 120.3° | 120.0° |
| CAH | CAK | CAI | 120.4° | 120.2° |
| HNAA | NAA | HNAB | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAI | CAE | CAF | 179.9° | 180.0° |
| NAA | CAI | CAE | CAK | 179.9° | 180.0° |
| NAA | CAI | CAK | CAG | 179.6° | 180.0° |
| NAA | CAI | CAK | CAH | 1.2° | 0.0° |
| CAI | NAA | HNAA | HNAB | 120.0° | 179.7° |
| NAA | CAI | CAE | HAE | 0.1° | 0.3° |
| OAB | CAH | OAC | CAK | 121.4° | 180.0° |
| OAB | CAH | CAK | CAG | 151.1° | 5.9° |
| OAB | CAH | CAK | CAI | 30.4° | 174.1° |
| OAC | CAH | CAK | CAG | 28.8° | 174.0° |
| OAC | CAH | CAK | CAI | 152.6° | 5.9° |
| OAC | CAH | OAB | HOAB | 0.0° | 0.0° |
| FAD | CAJ | CAF | CAE | 179.9° | 180.0° |
| FAD | CAJ | CAF | CAG | 180.0° | 180.0° |
| FAD | CAJ | CAG | CAK | 179.8° | 180.0° |
| FAD | CAJ | CAF | HAF | 0.0° | 0.0° |
| FAD | CAJ | CAG | HAG | 0.2° | 0.1° |
| CAF | CAE | CAI | HAE | 180.0° | 179.7° |
| CAE | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAE | CAF | CAJ | CAG | 0.1° | 0.0° |
| CAF | CAE | CAI | CAK | 0.0° | 0.0° |
| CAI | CAE | CAF | CAJ | 0.1° | 0.0° |
| CAE | CAI | CAK | CAG | 0.3° | 0.0° |
| CAE | CAI | CAK | CAH | 178.8° | 180.0° |
| CAE | CAI | NAA | HNAA | 180.0° | 5.7° |
| CAE | CAI | NAA | HNAB | 60.0° | 174.1° |
| CAI | CAE | CAF | HAF | 179.9° | 180.0° |
| CAF | CAJ | CAG | CAK | 0.2° | 0.0° |
| CAJ | CAF | CAE | HAE | 179.9° | 179.7° |
| CAF | CAJ | CAG | HAG | 179.8° | 180.0° |
| CAJ | CAG | CAK | HAG | 180.0° | 180.0° |
| CAJ | CAG | CAK | CAH | 178.9° | 180.0° |
| CAJ | CAG | CAK | CAI | 0.3° | 0.0° |
| CAG | CAJ | CAF | HAF | 179.9° | 180.0° |
| CAG | CAK | CAH | CAI | 178.5° | 180.0° |
| CAH | CAK | CAG | HAG | 1.1° | 0.0° |
| CAK | CAH | OAB | HOAB | 121.4° | 180.0° |
| CAK | CAI | NAA | HNAA | 0.1° | 174.3° |
| CAK | CAI | NAA | HNAB | 120.1° | 6.0° |
| CAK | CAI | CAE | HAE | 180.0° | 179.7° |
| CAI | CAK | CAG | HAG | 179.7° | 180.0° |
| HAE | CAE | CAF | HAF | 0.1° | 0.3° |
