A18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAE | doub | 1.22Å | 1.25Å | |
| CAE | CAA | sing | 1.46Å | 1.53Å | |
| CAE | OAO | sing | 1.35Å | 1.25Å | |
| OAO | HOAO | sing | 0.97Å | 0.95Å | |
| CAA | OAM | sing | 1.35Å | 1.37Å | Aromatic |
| CAA | CAB | doub | 1.37Å | 1.33Å | Aromatic |
| OAM | CAD | sing | 1.34Å | 1.36Å | Aromatic |
| CAB | CAC | sing | 1.40Å | 1.33Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | CAD | doub | 1.35Å | 1.33Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAL | sing | 1.51Å | 1.53Å | |
| CAL | CAK | sing | 1.51Å | 1.53Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAK | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CLAP | sing | 1.74Å | 1.73Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAE | CAA | 116.8° | 120.1° |
| OAN | CAE | OAO | 124.4° | 120.0° |
| CAA | CAE | OAO | 118.8° | 120.0° |
| CAE | CAA | OAM | 123.1° | 126.0° |
| CAE | CAA | CAB | 126.9° | 125.9° |
| CAE | OAO | HOAO | 109.5° | 117.0° |
| OAM | CAA | CAB | 110.0° | 108.0° |
| CAA | OAM | CAD | 104.7° | 109.4° |
| CAA | CAB | CAC | 107.4° | 106.7° |
| CAA | CAB | HAB | 126.3° | 126.7° |
| OAM | CAD | CAC | 109.1° | 108.8° |
| OAM | CAD | CAL | 120.9° | 125.6° |
| CAC | CAB | HAB | 126.3° | 126.6° |
| CAB | CAC | CAD | 108.8° | 107.1° |
| CAB | CAC | HAC | 125.6° | 126.5° |
| CAD | CAC | HAC | 125.6° | 126.4° |
| CAC | CAD | CAL | 130.0° | 125.6° |
| CAD | CAL | CAK | 110.9° | 109.5° |
| CAD | CAL | HAL1 | 109.0° | 109.5° |
| CAD | CAL | HAL2 | 108.7° | 109.5° |
| CAK | CAL | HAL1 | 109.0° | 109.5° |
| CAK | CAL | HAL2 | 108.7° | 109.5° |
| CAL | CAK | CAF | 117.5° | 120.0° |
| CAL | CAK | CAJ | 123.5° | 120.0° |
| HAL1 | CAL | HAL2 | 110.6° | 109.5° |
| CAF | CAK | CAJ | 119.0° | 120.0° |
| CAK | CAF | CAG | 120.7° | 120.1° |
| CAK | CAF | HAF | 119.6° | 120.0° |
| CAK | CAJ | CAI | 120.7° | 120.0° |
| CAK | CAJ | CLAP | 119.6° | 120.0° |
| CAG | CAF | HAF | 119.7° | 120.0° |
| CAF | CAG | CAH | 119.9° | 120.0° |
| CAF | CAG | HAG | 120.1° | 120.0° |
| CAH | CAG | HAG | 120.0° | 120.0° |
| CAG | CAH | CAI | 119.6° | 120.0° |
| CAG | CAH | HAH | 120.2° | 120.0° |
| CAI | CAH | HAH | 120.2° | 120.0° |
| CAH | CAI | CAJ | 120.0° | 120.0° |
| CAH | CAI | HAI | 120.0° | 120.0° |
| CAJ | CAI | HAI | 120.0° | 120.0° |
| CAI | CAJ | CLAP | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAE | CAA | OAO | 179.3° | 179.7° |
| OAN | CAE | OAO | HOAO | 0.0° | 0.0° |
| OAN | CAE | CAA | OAM | 7.6° | 180.0° |
| OAN | CAE | CAA | CAB | 172.4° | 0.3° |
| CAA | CAE | OAO | HOAO | 179.3° | 179.7° |
| CAE | CAA | OAM | CAB | 179.9° | 179.7° |
| CAE | CAA | OAM | CAD | 179.9° | 180.0° |
| CAE | CAA | CAB | CAC | 179.9° | 180.0° |
| CAE | CAA | CAB | HAB | 0.1° | 0.1° |
| OAO | CAE | CAA | OAM | 171.7° | 0.3° |
| OAO | CAE | CAA | CAB | 8.3° | 179.4° |
| OAM | CAA | CAB | CAC | 0.0° | 0.3° |
| OAM | CAA | CAB | HAB | 180.0° | 179.8° |
| CAA | OAM | CAD | CAC | 0.0° | 0.1° |
| CAA | OAM | CAD | CAL | 179.9° | 179.9° |
| CAB | CAA | OAM | CAD | 0.0° | 0.3° |
| CAA | CAB | CAC | HAB | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.0° | 0.2° |
| CAA | CAB | CAC | HAC | 180.0° | 180.0° |
| OAM | CAD | CAC | CAB | 0.0° | 0.0° |
| OAM | CAD | CAC | CAL | 179.9° | 179.9° |
| OAM | CAD | CAC | HAC | 180.0° | 179.9° |
| OAM | CAD | CAL | CAK | 177.7° | 90.0° |
| OAM | CAD | CAL | HAL1 | 62.3° | 30.0° |
| OAM | CAD | CAL | HAL2 | 58.3° | 150.0° |
| CAB | CAC | CAD | HAC | 180.0° | 179.8° |
| CAB | CAC | CAD | CAL | 179.9° | 179.9° |
| HAB | CAB | CAC | CAD | 180.0° | 179.9° |
| HAB | CAB | CAC | HAC | 0.0° | 0.1° |
| CAC | CAD | CAL | CAK | 2.2° | 90.1° |
| CAC | CAD | CAL | HAL1 | 117.8° | 149.9° |
| CAC | CAD | CAL | HAL2 | 121.7° | 29.9° |
| HAC | CAC | CAD | CAL | 0.1° | 0.1° |
| CAD | CAL | CAK | HAL1 | 120.0° | 120.0° |
| CAD | CAL | CAK | HAL2 | 119.4° | 120.0° |
| CAD | CAL | HAL1 | HAL2 | 119.4° | 120.0° |
| CAD | CAL | CAK | CAF | 103.7° | 100.0° |
| CAD | CAL | CAK | CAJ | 77.0° | 80.3° |
| CAK | CAL | HAL1 | HAL2 | 119.4° | 120.0° |
| CAL | CAK | CAF | CAJ | 179.3° | 179.7° |
| CAL | CAK | CAF | CAG | 179.2° | 180.0° |
| CAL | CAK | CAF | HAF | 0.8° | 0.0° |
| CAL | CAK | CAJ | CAI | 179.3° | 179.7° |
| CAL | CAK | CAJ | CLAP | 0.3° | 0.0° |
| HAL1 | CAL | CAK | CAF | 136.3° | 20.0° |
| HAL1 | CAL | CAK | CAJ | 43.0° | 159.7° |
| HAL2 | CAL | CAK | CAF | 15.7° | 140.0° |
| HAL2 | CAL | CAK | CAJ | 163.5° | 39.7° |
| CAK | CAF | CAG | HAF | 180.0° | 179.9° |
| CAK | CAF | CAG | CAH | 0.1° | 0.1° |
| CAK | CAF | CAG | HAG | 179.9° | 180.0° |
| CAF | CAK | CAJ | CAI | 0.1° | 0.6° |
| CAF | CAK | CAJ | CLAP | 179.5° | 179.7° |
| CAJ | CAK | CAF | CAG | 0.1° | 0.2° |
| CAJ | CAK | CAF | HAF | 179.9° | 179.7° |
| CAK | CAJ | CAI | CAH | 0.2° | 0.7° |
| CAK | CAJ | CAI | CLAP | 179.6° | 179.7° |
| CAK | CAJ | CAI | HAI | 179.8° | 179.6° |
| CAF | CAG | CAH | HAG | 180.0° | 179.9° |
| CAF | CAG | CAH | CAI | 0.0° | 0.1° |
| CAF | CAG | CAH | HAH | 180.0° | 179.9° |
| HAF | CAF | CAG | CAH | 179.9° | 180.0° |
| HAF | CAF | CAG | HAG | 0.1° | 0.1° |
| CAG | CAH | CAI | HAH | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.1° | 0.3° |
| CAG | CAH | CAI | HAI | 179.8° | 180.0° |
| HAG | CAG | CAH | CAI | 180.0° | 180.0° |
| HAG | CAG | CAH | HAH | 0.0° | 0.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 179.7° |
| CAH | CAI | CAJ | CLAP | 179.4° | 179.7° |
| HAH | CAH | CAI | CAJ | 179.9° | 179.7° |
| HAH | CAH | CAI | HAI | 0.2° | 0.0° |
| HAI | CAI | CAJ | CLAP | 0.6° | 0.0° |
