9XG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | NAK | sing | 1.40Å | 1.33Å | |
| NAK | CAN | sing | 1.40Å | 1.33Å | |
| CAN | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAA | sing | 1.51Å | 1.39Å | |
| CAL | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | HAB | sing | 1.09Å | 1.10Å | |
| CAA | HAC | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAB | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAL | sing | 1.08Å | 1.08Å | |
| NAK | HAM | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAB | CAD | 120.2° | 120.1° |
| CAB | CAC | CAG | 120.1° | 120.1° |
| CAC | CAB | HAD | 119.9° | 120.0° |
| CAB | CAC | HAE | 120.0° | 120.0° |
| CAB | CAD | CAH | 119.8° | 120.1° |
| CAD | CAB | HAD | 119.9° | 119.9° |
| CAB | CAD | HAF | 120.1° | 119.9° |
| CAC | CAG | CAM | 120.0° | 119.9° |
| CAG | CAC | HAE | 119.9° | 119.9° |
| CAC | CAG | HAI | 120.0° | 120.0° |
| CAD | CAH | CAM | 120.0° | 119.9° |
| CAH | CAD | HAF | 120.1° | 120.0° |
| CAD | CAH | HAJ | 120.0° | 120.1° |
| CAG | CAM | CAH | 120.0° | 119.8° |
| CAG | CAM | NAK | 119.6° | 120.1° |
| CAM | CAG | HAI | 120.0° | 120.0° |
| CAH | CAM | NAK | 120.4° | 120.1° |
| CAM | CAH | HAJ | 120.0° | 120.0° |
| CAM | NAK | CAN | 126.3° | 120.0° |
| CAM | NAK | HAM | 116.8° | 120.0° |
| NAK | CAN | CAJ | 119.0° | 120.1° |
| NAK | CAN | CAI | 120.6° | 120.1° |
| CAN | NAK | HAM | 116.9° | 120.0° |
| CAJ | CAN | CAI | 120.3° | 119.8° |
| CAN | CAJ | CAL | 119.8° | 119.9° |
| CAN | CAJ | HAL | 120.1° | 120.1° |
| CAN | CAI | CAE | 119.7° | 119.9° |
| CAN | CAI | HAK | 120.1° | 120.0° |
| CAJ | CAL | CAA | 119.5° | 120.0° |
| CAJ | CAL | CAF | 119.9° | 120.1° |
| CAL | CAJ | HAL | 120.1° | 120.0° |
| CAI | CAE | CAF | 120.0° | 120.1° |
| CAI | CAE | HAG | 120.0° | 120.0° |
| CAE | CAI | HAK | 120.1° | 120.1° |
| CAA | CAL | CAF | 120.6° | 119.9° |
| CAL | CAA | HAB | 109.5° | 109.4° |
| CAL | CAA | HAC | 109.5° | 109.4° |
| CAL | CAA | HAA | 109.5° | 109.4° |
| CAL | CAF | CAE | 120.2° | 120.1° |
| CAL | CAF | HAH | 119.9° | 120.0° |
| CAF | CAE | HAG | 120.0° | 119.9° |
| CAE | CAF | HAH | 119.9° | 119.9° |
| HAB | CAA | HAC | 109.4° | 109.5° |
| HAB | CAA | HAA | 109.5° | 109.5° |
| HAC | CAA | HAA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAB | CAD | HAD | 180.0° | 179.7° |
| CAB | CAC | CAG | HAE | 180.0° | 180.0° |
| CAC | CAB | CAD | CAH | 0.2° | 0.0° |
| CAB | CAC | CAG | CAM | 0.3° | 0.0° |
| CAC | CAB | CAD | HAF | 179.8° | 180.0° |
| CAB | CAC | CAG | HAI | 179.7° | 180.0° |
| CAD | CAB | CAC | CAG | 0.1° | 0.0° |
| CAB | CAD | CAH | HAF | 180.0° | 179.9° |
| CAB | CAD | CAH | CAM | 0.0° | 0.0° |
| CAD | CAB | CAC | HAE | 179.9° | 180.0° |
| CAB | CAD | CAH | HAJ | 180.0° | 180.0° |
| CAC | CAG | CAM | HAI | 180.0° | 180.0° |
| CAC | CAG | CAM | CAH | 0.5° | 0.0° |
| CAC | CAG | CAM | NAK | 177.1° | 179.9° |
| CAG | CAC | CAB | HAD | 179.9° | 179.7° |
| CAD | CAH | CAM | CAG | 0.3° | 0.0° |
| CAD | CAH | CAM | HAJ | 180.0° | 179.9° |
| CAD | CAH | CAM | NAK | 177.2° | 179.9° |
| CAH | CAD | CAB | HAD | 179.8° | 179.7° |
| CAG | CAM | CAH | NAK | 177.5° | 180.0° |
| CAG | CAM | NAK | CAN | 69.8° | 150.1° |
| CAM | CAG | CAC | HAE | 179.7° | 180.0° |
| CAG | CAM | CAH | HAJ | 179.7° | 180.0° |
| CAG | CAM | NAK | HAM | 110.2° | 29.8° |
| CAH | CAM | NAK | CAN | 107.7° | 29.9° |
| CAM | CAH | CAD | HAF | 180.0° | 180.0° |
| CAH | CAM | CAG | HAI | 179.5° | 180.0° |
| CAH | CAM | NAK | HAM | 72.3° | 150.2° |
| CAM | NAK | CAN | HAM | 180.0° | 179.9° |
| CAM | NAK | CAN | CAJ | 62.9° | 150.1° |
| CAM | NAK | CAN | CAI | 113.7° | 30.7° |
| NAK | CAM | CAG | HAI | 2.9° | 0.0° |
| NAK | CAM | CAH | HAJ | 2.8° | 0.0° |
| NAK | CAN | CAJ | CAI | 176.6° | 179.2° |
| NAK | CAN | CAJ | CAL | 176.6° | 180.0° |
| NAK | CAN | CAI | CAE | 176.6° | 179.8° |
| NAK | CAN | CAI | HAK | 3.4° | 0.3° |
| NAK | CAN | CAJ | HAL | 3.4° | 0.0° |
| CAN | CAJ | CAL | HAL | 180.0° | 180.0° |
| CAJ | CAN | CAI | CAE | 0.1° | 0.6° |
| CAN | CAJ | CAL | CAA | 179.3° | 180.0° |
| CAN | CAJ | CAL | CAF | 0.0° | 0.5° |
| CAJ | CAN | CAI | HAK | 179.9° | 179.5° |
| CAJ | CAN | NAK | HAM | 117.1° | 30.0° |
| CAI | CAN | CAJ | CAL | 0.0° | 0.8° |
| CAN | CAI | CAE | HAK | 180.0° | 179.9° |
| CAN | CAI | CAE | CAF | 0.2° | 0.0° |
| CAN | CAI | CAE | HAG | 179.8° | 179.7° |
| CAI | CAN | CAJ | HAL | 180.0° | 179.2° |
| CAI | CAN | NAK | HAM | 66.3° | 149.2° |
| CAJ | CAL | CAA | CAF | 179.4° | 179.4° |
| CAJ | CAL | CAF | CAE | 0.1° | 0.0° |
| CAJ | CAL | CAA | HAB | 89.7° | 90.0° |
| CAJ | CAL | CAA | HAC | 150.3° | 150.0° |
| CAJ | CAL | CAA | HAA | 30.3° | 30.0° |
| CAJ | CAL | CAF | HAH | 179.9° | 179.9° |
| CAI | CAE | CAF | CAL | 0.2° | 0.3° |
| CAI | CAE | CAF | HAG | 180.0° | 179.8° |
| CAI | CAE | CAF | HAH | 179.8° | 179.8° |
| CAA | CAL | CAF | CAE | 179.4° | 179.4° |
| CAL | CAA | HAB | HAC | 120.0° | 120.0° |
| CAL | CAA | HAB | HAA | 120.0° | 119.9° |
| CAL | CAA | HAC | HAA | 120.0° | 120.0° |
| CAA | CAL | CAF | HAH | 0.5° | 0.5° |
| CAA | CAL | CAJ | HAL | 0.6° | 0.0° |
| CAL | CAF | CAE | HAH | 180.0° | 179.9° |
| CAF | CAL | CAA | HAB | 89.7° | 89.5° |
| CAF | CAL | CAA | HAC | 30.3° | 30.6° |
| CAF | CAL | CAA | HAA | 150.3° | 150.6° |
| CAL | CAF | CAE | HAG | 179.8° | 180.0° |
| CAF | CAL | CAJ | HAL | 180.0° | 179.5° |
| CAF | CAE | CAI | HAK | 179.8° | 179.9° |
| HAB | CAA | HAC | HAA | 120.0° | 120.1° |
| HAD | CAB | CAC | HAE | 0.1° | 0.3° |
| HAD | CAB | CAD | HAF | 0.2° | 0.2° |
| HAE | CAC | CAG | HAI | 0.3° | 0.0° |
| HAF | CAD | CAH | HAJ | 0.0° | 0.1° |
| HAG | CAE | CAF | HAH | 0.2° | 0.1° |
| HAG | CAE | CAI | HAK | 0.2° | 0.2° |
