X6W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | NAO | sing | 1.46Å | 1.48Å | |
| NAO | CAM | sing | 1.35Å | 1.33Å | Aromatic |
| NAO | NAJ | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAI | sing | 1.51Å | 1.51Å | |
| CAM | CAH | doub | 1.35Å | 1.39Å | Aromatic |
| CAI | NAK | sing | 1.47Å | 1.45Å | |
| NAK | CAA | sing | 1.47Å | 1.45Å | |
| NAJ | CAN | doub | 1.32Å | 1.35Å | Aromatic |
| CAN | CAH | sing | 1.41Å | 1.40Å | Aromatic |
| CAN | CAL | sing | 1.48Å | 1.50Å | |
| CAL | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAK | HAK | sing | 1.01Å | 1.00Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | NAO | CAM | 134.3° | 126.0° |
| CAB | NAO | NAJ | 114.5° | 125.9° |
| NAO | CAB | HAB1 | 109.5° | 109.5° |
| NAO | CAB | HAB2 | 109.5° | 109.5° |
| NAO | CAB | HAB3 | 109.5° | 109.5° |
| CAM | NAO | NAJ | 111.2° | 108.1° |
| NAO | CAM | CAI | 127.2° | 126.0° |
| NAO | CAM | CAH | 105.9° | 108.0° |
| NAO | NAJ | CAN | 106.5° | 108.1° |
| CAI | CAM | CAH | 126.9° | 126.0° |
| CAM | CAI | NAK | 109.6° | 109.5° |
| CAM | CAI | HAI1 | 109.5° | 109.5° |
| CAM | CAI | HAI2 | 109.4° | 109.5° |
| CAM | CAH | CAN | 108.7° | 107.8° |
| CAM | CAH | HAH | 125.6° | 126.0° |
| CAI | NAK | CAA | 119.6° | 111.0° |
| NAK | CAI | HAI1 | 109.4° | 109.4° |
| NAK | CAI | HAI2 | 109.4° | 109.5° |
| CAI | NAK | HAK | 106.9° | 111.0° |
| CAA | NAK | HAK | 106.9° | 111.0° |
| NAK | CAA | HAA1 | 109.5° | 109.4° |
| NAK | CAA | HAA2 | 109.5° | 109.5° |
| NAK | CAA | HAA3 | 109.5° | 109.5° |
| NAJ | CAN | CAH | 107.8° | 108.0° |
| NAJ | CAN | CAL | 125.0° | 126.0° |
| CAH | CAN | CAL | 127.2° | 126.0° |
| CAN | CAH | HAH | 125.7° | 126.1° |
| CAN | CAL | CAG | 120.3° | 120.1° |
| CAN | CAL | CAF | 120.4° | 120.2° |
| CAG | CAL | CAF | 119.3° | 119.7° |
| CAL | CAG | CAE | 120.5° | 119.9° |
| CAL | CAG | HAG | 119.8° | 120.1° |
| CAL | CAF | CAD | 120.3° | 119.9° |
| CAL | CAF | HAF | 119.9° | 120.0° |
| CAG | CAE | CAC | 120.1° | 120.1° |
| CAE | CAG | HAG | 119.7° | 120.0° |
| CAG | CAE | HAE | 119.9° | 119.9° |
| CAE | CAC | CAD | 119.6° | 120.3° |
| CAC | CAE | HAE | 120.0° | 120.0° |
| CAE | CAC | HAC | 120.2° | 119.9° |
| CAC | CAD | CAF | 120.3° | 120.1° |
| CAD | CAC | HAC | 120.2° | 119.9° |
| CAC | CAD | HAD | 119.8° | 119.9° |
| CAD | CAF | HAF | 119.9° | 120.0° |
| CAF | CAD | HAD | 119.9° | 119.9° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| HAI1 | CAI | HAI2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.4° |
| HAA2 | CAA | HAA3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | NAO | CAM | NAJ | 179.6° | 179.7° |
| CAB | NAO | CAM | CAI | 0.4° | 0.1° |
| CAB | NAO | CAM | CAH | 179.8° | 180.0° |
| CAB | NAO | NAJ | CAN | 180.0° | 179.9° |
| NAO | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAO | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAO | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NAO | CAM | CAI | CAH | 179.8° | 180.0° |
| NAO | CAM | CAI | NAK | 61.3° | 84.9° |
| CAM | NAO | NAJ | CAN | 0.4° | 0.2° |
| NAO | CAM | CAH | CAN | 0.0° | 0.2° |
| CAM | NAO | CAB | HAB1 | 179.6° | 90.0° |
| CAM | NAO | CAB | HAB2 | 60.4° | 150.0° |
| CAM | NAO | CAB | HAB3 | 59.6° | 29.9° |
| NAO | CAM | CAI | HAI1 | 58.7° | 35.0° |
| NAO | CAM | CAI | HAI2 | 178.7° | 155.0° |
| NAO | CAM | CAH | HAH | 180.0° | 180.0° |
| NAJ | NAO | CAM | CAI | 180.0° | 179.8° |
| NAJ | NAO | CAM | CAH | 0.2° | 0.3° |
| NAO | NAJ | CAN | CAH | 0.3° | 0.1° |
| NAO | NAJ | CAN | CAL | 179.8° | 180.0° |
| NAJ | NAO | CAB | HAB1 | 0.0° | 90.3° |
| NAJ | NAO | CAB | HAB2 | 120.0° | 29.7° |
| NAJ | NAO | CAB | HAB3 | 120.0° | 149.7° |
| CAM | CAI | NAK | HAI1 | 120.0° | 120.0° |
| CAM | CAI | NAK | HAI2 | 120.0° | 120.0° |
| CAM | CAI | NAK | CAA | 84.1° | 180.0° |
| CAI | CAM | CAH | CAN | 179.8° | 179.8° |
| CAM | CAI | HAI1 | HAI2 | 120.0° | 120.0° |
| CAI | CAM | CAH | HAH | 0.2° | 0.0° |
| CAM | CAI | NAK | HAK | 37.4° | 56.1° |
| CAH | CAM | CAI | NAK | 118.9° | 95.0° |
| CAM | CAH | CAN | NAJ | 0.2° | 0.0° |
| CAM | CAH | CAN | HAH | 180.0° | 179.8° |
| CAM | CAH | CAN | CAL | 179.7° | 179.8° |
| CAH | CAM | CAI | HAI1 | 121.1° | 145.0° |
| CAH | CAM | CAI | HAI2 | 1.1° | 25.0° |
| CAI | NAK | CAA | HAK | 121.4° | 123.9° |
| NAK | CAI | HAI1 | HAI2 | 119.9° | 120.0° |
| CAI | NAK | CAA | HAA1 | 180.0° | 60.1° |
| CAI | NAK | CAA | HAA2 | 60.0° | 60.0° |
| CAI | NAK | CAA | HAA3 | 60.0° | 180.0° |
| CAA | NAK | CAI | HAI1 | 155.9° | 60.0° |
| CAA | NAK | CAI | HAI2 | 36.0° | 60.0° |
| NAK | CAA | HAA1 | HAA2 | 120.0° | 120.1° |
| NAK | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| NAK | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| NAJ | CAN | CAH | CAL | 179.4° | 179.8° |
| NAJ | CAN | CAL | CAG | 29.1° | 0.1° |
| NAJ | CAN | CAL | CAF | 150.0° | 179.7° |
| NAJ | CAN | CAH | HAH | 179.8° | 179.9° |
| CAH | CAN | CAL | CAG | 151.6° | 179.9° |
| CAH | CAN | CAL | CAF | 29.4° | 0.5° |
| CAN | CAL | CAG | CAF | 179.1° | 179.7° |
| CAN | CAL | CAG | CAE | 179.7° | 180.0° |
| CAN | CAL | CAF | CAD | 179.7° | 179.7° |
| CAL | CAN | CAH | HAH | 0.3° | 0.0° |
| CAN | CAL | CAG | HAG | 0.3° | 0.1° |
| CAN | CAL | CAF | HAF | 0.4° | 0.1° |
| CAL | CAG | CAE | HAG | 180.0° | 179.9° |
| CAL | CAG | CAE | CAC | 0.3° | 0.1° |
| CAG | CAL | CAF | CAD | 0.6° | 0.6° |
| CAG | CAL | CAF | HAF | 179.4° | 179.7° |
| CAL | CAG | CAE | HAE | 179.6° | 180.0° |
| CAF | CAL | CAG | CAE | 0.6° | 0.4° |
| CAL | CAF | CAD | CAC | 0.2° | 0.6° |
| CAL | CAF | CAD | HAF | 180.0° | 179.7° |
| CAF | CAL | CAG | HAG | 179.4° | 179.8° |
| CAL | CAF | CAD | HAD | 179.8° | 179.7° |
| CAG | CAE | CAC | HAE | 180.0° | 180.0° |
| CAG | CAE | CAC | CAD | 0.0° | 0.0° |
| CAG | CAE | CAC | HAC | 180.0° | 180.0° |
| CAE | CAC | CAD | HAC | 180.0° | 180.0° |
| CAE | CAC | CAD | CAF | 0.1° | 0.3° |
| CAC | CAE | CAG | HAG | 179.7° | 179.9° |
| CAE | CAC | CAD | HAD | 179.9° | 180.0° |
| CAC | CAD | CAF | HAD | 180.0° | 179.7° |
| CAC | CAD | CAF | HAF | 179.8° | 179.8° |
| CAD | CAC | CAE | HAE | 180.0° | 180.0° |
| CAF | CAD | CAC | HAC | 179.9° | 179.7° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAI1 | CAI | NAK | HAK | 82.7° | 176.1° |
| HAI2 | CAI | NAK | HAK | 157.4° | 63.9° |
| HAK | NAK | CAA | HAA1 | 58.6° | 176.0° |
| HAK | NAK | CAA | HAA2 | 178.6° | 63.9° |
| HAK | NAK | CAA | HAA3 | 61.4° | 56.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAG | CAG | CAE | HAE | 0.3° | 0.1° |
| HAF | CAF | CAD | HAD | 0.2° | 0.0° |
| HAE | CAE | CAC | HAC | 0.0° | 0.0° |
| HAC | CAC | CAD | HAD | 0.1° | 0.0° |
