5MZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAK | sing | 1.40Å | 1.34Å | |
| CLAB | CAG | sing | 1.80Å | 1.79Å | |
| CAC | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAL | sing | 1.39Å | 1.37Å | Aromatic |
| CAG | CAM | sing | 1.51Å | 1.52Å | |
| NAH | OAJ | sing | 1.21Å | 1.38Å | Aromatic |
| NAH | CAN | doub | 1.31Å | 1.34Å | Aromatic |
| NAI | CAM | doub | 1.31Å | 1.33Å | Aromatic |
| NAI | CAN | sing | 1.35Å | 1.33Å | Aromatic |
| OAJ | CAM | sing | 1.34Å | 1.37Å | Aromatic |
| CAL | CAN | sing | 1.48Å | 1.38Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAC | HAC | 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 | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAK | CAD | 121.8° | 120.0° |
| NAA | CAK | CAF | 120.3° | 120.0° |
| CAK | NAA | HNAA | 109.5° | 120.0° |
| CAK | NAA | HNAB | 109.5° | 120.0° |
| CLAB | CAG | CAM | 112.7° | 109.5° |
| CLAB | CAG | HAG | 108.4° | 109.5° |
| CLAB | CAG | HAGA | 108.4° | 109.4° |
| CAD | CAC | CAE | 118.5° | 120.2° |
| CAC | CAD | CAK | 122.8° | 120.2° |
| CAD | CAC | HAC | 120.7° | 119.9° |
| CAC | CAD | HAD | 118.6° | 119.9° |
| CAC | CAE | CAL | 119.5° | 120.1° |
| CAE | CAC | HAC | 120.8° | 119.9° |
| CAC | CAE | HAE | 120.3° | 120.0° |
| CAD | CAK | CAF | 117.9° | 120.0° |
| CAK | CAD | HAD | 118.6° | 119.9° |
| CAE | CAL | CAF | 121.2° | 119.8° |
| CAE | CAL | CAN | 119.5° | 120.1° |
| CAL | CAE | HAE | 120.2° | 120.0° |
| CAK | CAF | CAL | 120.1° | 119.8° |
| CAK | CAF | HAF | 119.9° | 120.1° |
| CAF | CAL | CAN | 119.2° | 120.1° |
| CAL | CAF | HAF | 119.9° | 120.1° |
| CAG | CAM | NAI | 128.9° | 126.4° |
| CAG | CAM | OAJ | 121.8° | 126.4° |
| CAM | CAG | HAG | 108.4° | 109.5° |
| CAM | CAG | HAGA | 108.4° | 109.5° |
| OAJ | NAH | CAN | 106.5° | 110.1° |
| NAH | OAJ | CAM | 106.4° | 110.0° |
| NAH | CAN | NAI | 110.2° | 107.2° |
| NAH | CAN | CAL | 124.7° | 126.4° |
| CAM | NAI | CAN | 107.6° | 105.6° |
| NAI | CAM | OAJ | 109.3° | 107.1° |
| NAI | CAN | CAL | 125.0° | 126.4° |
| HNAA | NAA | HNAB | 109.5° | 120.0° |
| HAG | CAG | HAGA | 110.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAK | CAD | CAC | 178.3° | 180.0° |
| NAA | CAK | CAD | CAF | 177.5° | 180.0° |
| NAA | CAK | CAF | CAL | 178.1° | 180.0° |
| CAK | NAA | HNAA | HNAB | 120.0° | 179.8° |
| NAA | CAK | CAD | HAD | 1.7° | 0.1° |
| NAA | CAK | CAF | HAF | 1.9° | 0.0° |
| CLAB | CAG | CAM | HAG | 120.0° | 120.0° |
| CLAB | CAG | CAM | HAGA | 120.0° | 120.0° |
| CLAB | CAG | CAM | NAI | 20.0° | 89.9° |
| CLAB | CAG | CAM | OAJ | 160.7° | 90.0° |
| CLAB | CAG | HAG | HAGA | 118.7° | 119.9° |
| CAD | CAC | CAE | HAC | 180.0° | 179.8° |
| CAC | CAD | CAK | HAD | 180.0° | 179.9° |
| CAD | CAC | CAE | CAL | 1.9° | 0.0° |
| CAC | CAD | CAK | CAF | 0.7° | 0.0° |
| CAD | CAC | CAE | HAE | 178.2° | 180.0° |
| CAE | CAC | CAD | CAK | 0.5° | 0.0° |
| CAC | CAE | CAL | HAE | 180.0° | 179.9° |
| CAC | CAE | CAL | CAF | 2.1° | 0.0° |
| CAC | CAE | CAL | CAN | 178.1° | 180.0° |
| CAE | CAC | CAD | HAD | 179.5° | 179.9° |
| CAD | CAK | CAF | CAL | 0.5° | 0.0° |
| CAD | CAK | NAA | HNAA | 180.0° | 0.1° |
| CAD | CAK | NAA | HNAB | 60.0° | 179.8° |
| CAK | CAD | CAC | HAC | 179.5° | 179.8° |
| CAD | CAK | CAF | HAF | 179.5° | 180.0° |
| CAE | CAL | CAF | CAK | 0.9° | 0.0° |
| CAE | CAL | CAF | CAN | 176.1° | 180.0° |
| CAE | CAL | CAN | NAH | 3.5° | 180.0° |
| CAE | CAL | CAN | NAI | 171.4° | 0.0° |
| CAL | CAE | CAC | HAC | 178.1° | 179.8° |
| CAE | CAL | CAF | HAF | 179.1° | 180.0° |
| CAK | CAF | CAL | HAF | 180.0° | 180.0° |
| CAK | CAF | CAL | CAN | 176.9° | 180.0° |
| CAF | CAK | NAA | HNAA | 2.5° | 179.9° |
| CAF | CAK | NAA | HNAB | 122.5° | 0.2° |
| CAF | CAK | CAD | HAD | 179.3° | 180.0° |
| CAF | CAL | CAN | NAH | 179.6° | 0.0° |
| CAF | CAL | CAN | NAI | 4.7° | 180.0° |
| CAF | CAL | CAE | HAE | 177.9° | 180.0° |
| CAG | CAM | OAJ | NAH | 179.1° | 180.0° |
| CAG | CAM | NAI | OAJ | 179.4° | 180.0° |
| CAG | CAM | NAI | CAN | 180.0° | 180.0° |
| CAM | CAG | HAG | HAGA | 118.6° | 120.0° |
| NAH | OAJ | CAM | NAI | 0.3° | 0.0° |
| OAJ | NAH | CAN | NAI | 1.5° | 0.0° |
| OAJ | NAH | CAN | CAL | 177.0° | 180.0° |
| NAH | CAN | NAI | CAM | 1.3° | 0.0° |
| NAH | CAN | NAI | CAL | 175.5° | 180.0° |
| CAN | NAH | OAJ | CAM | 1.1° | 0.0° |
| CAM | NAI | CAN | CAL | 176.8° | 179.9° |
| NAI | CAM | CAG | HAG | 100.0° | 30.1° |
| NAI | CAM | CAG | HAGA | 140.0° | 150.0° |
| CAN | NAI | CAM | OAJ | 0.6° | 0.0° |
| OAJ | CAM | CAG | HAG | 79.3° | 150.0° |
| OAJ | CAM | CAG | HAGA | 40.6° | 30.0° |
| CAN | CAL | CAE | HAE | 1.9° | 0.1° |
| CAN | CAL | CAF | HAF | 3.1° | 0.0° |
| HAC | CAC | CAD | HAD | 0.5° | 0.2° |
| HAC | CAC | CAE | HAE | 1.8° | 0.3° |
