AD8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | N | sing | 1.35Å | 1.34Å | Aromatic |
| CAN | N | sing | 1.37Å | 1.35Å | Aromatic |
| N | CA | sing | 1.47Å | 1.45Å | |
| NAP | CAQ | doub | 1.30Å | 1.34Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| NAP | CAO | sing | 1.34Å | 1.35Å | Aromatic |
| CAO | CAN | doub | 1.35Å | 1.38Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CAE | sing | 1.51Å | 1.52Å | |
| CAF | CAE | sing | 1.53Å | 1.54Å | |
| CAE | CAI | sing | 1.53Å | 1.54Å | |
| CAE | CAD | sing | 1.53Å | 1.54Å | |
| CAF | CAA | sing | 1.53Å | 1.54Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAD | CAC | sing | 1.53Å | 1.53Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAB | CAC | sing | 1.53Å | 1.54Å | |
| CAC | CAH | sing | 1.53Å | 1.53Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAA | CAB | sing | 1.53Å | 1.54Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAJ | CAH | sing | 1.53Å | 1.54Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAG | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAA | CAG | sing | 1.53Å | 1.54Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | N | CAN | 109.3° | 107.2° |
| CAQ | N | CA | 124.2° | 126.4° |
| N | CAQ | NAP | 107.6° | 108.7° |
| N | CAQ | HAQ | 126.2° | 125.6° |
| CAN | N | CA | 126.5° | 126.4° |
| N | CAN | CAO | 107.3° | 106.8° |
| N | CAN | HAN | 126.4° | 126.6° |
| N | CA | C | 107.9° | 109.5° |
| N | CA | HA | 110.0° | 109.5° |
| N | CA | HAA | 110.3° | 109.4° |
| NAP | CAQ | HAQ | 126.2° | 125.7° |
| CAQ | NAP | CAO | 109.5° | 109.3° |
| NAP | CAO | CAN | 106.4° | 108.0° |
| NAP | CAO | HAO | 126.8° | 126.0° |
| CAN | CAO | HAO | 126.8° | 126.0° |
| CAO | CAN | HAN | 126.4° | 126.6° |
| C | CA | HA | 110.0° | 109.5° |
| C | CA | HAA | 110.3° | 109.5° |
| CA | C | O | 119.7° | 120.0° |
| CA | C | CAE | 121.2° | 120.0° |
| HA | CA | HAA | 108.3° | 109.5° |
| O | C | CAE | 119.1° | 120.0° |
| C | CAE | CAF | 110.2° | 109.5° |
| C | CAE | CAI | 107.2° | 109.5° |
| C | CAE | CAD | 109.8° | 109.5° |
| CAF | CAE | CAI | 111.2° | 109.4° |
| CAF | CAE | CAD | 109.5° | 109.5° |
| CAE | CAF | CAA | 109.3° | 109.5° |
| CAE | CAF | HAF | 109.5° | 109.5° |
| CAE | CAF | HAFA | 109.6° | 109.5° |
| CAI | CAE | CAD | 108.9° | 109.5° |
| CAE | CAI | CAJ | 109.1° | 109.5° |
| CAE | CAI | HAI | 109.6° | 109.4° |
| CAE | CAI | HAIA | 109.7° | 109.5° |
| CAE | CAD | CAC | 109.6° | 109.5° |
| CAE | CAD | HAD | 109.5° | 109.4° |
| CAE | CAD | HADA | 109.4° | 109.5° |
| CAA | CAF | HAF | 109.5° | 109.4° |
| CAA | CAF | HAFA | 109.5° | 109.4° |
| CAF | CAA | CAB | 106.9° | 109.5° |
| CAF | CAA | CAG | 109.7° | 109.5° |
| CAF | CAA | HAAA | 110.8° | 109.5° |
| HAF | CAF | HAFA | 109.3° | 109.5° |
| CAJ | CAI | HAI | 109.6° | 109.5° |
| CAJ | CAI | HAIA | 109.7° | 109.5° |
| CAI | CAJ | CAH | 110.8° | 109.5° |
| CAI | CAJ | CAG | 107.2° | 109.5° |
| CAI | CAJ | HAJ | 109.9° | 109.5° |
| HAI | CAI | HAIA | 109.2° | 109.5° |
| CAC | CAD | HAD | 109.4° | 109.5° |
| CAC | CAD | HADA | 109.4° | 109.5° |
| CAD | CAC | CAB | 110.0° | 109.5° |
| CAD | CAC | CAH | 108.1° | 109.5° |
| CAD | CAC | HAC | 110.0° | 109.5° |
| HAD | CAD | HADA | 109.5° | 109.4° |
| CAB | CAC | CAH | 109.3° | 109.5° |
| CAB | CAC | HAC | 108.8° | 109.5° |
| CAC | CAB | CAA | 110.8° | 109.4° |
| CAC | CAB | HAB | 109.0° | 109.5° |
| CAC | CAB | HABA | 108.7° | 109.5° |
| CAH | CAC | HAC | 110.6° | 109.5° |
| CAC | CAH | CAJ | 110.2° | 109.5° |
| CAC | CAH | HAH | 109.2° | 109.5° |
| CAC | CAH | HAHA | 109.0° | 109.4° |
| CAA | CAB | HAB | 109.0° | 109.5° |
| CAA | CAB | HABA | 108.7° | 109.4° |
| CAB | CAA | CAG | 108.8° | 109.5° |
| CAB | CAA | HAAA | 111.7° | 109.5° |
| HAB | CAB | HABA | 110.6° | 109.5° |
| CAJ | CAH | HAH | 109.2° | 109.5° |
| CAJ | CAH | HAHA | 109.0° | 109.5° |
| CAH | CAJ | CAG | 109.0° | 109.4° |
| CAH | CAJ | HAJ | 108.2° | 109.4° |
| HAH | CAH | HAHA | 110.1° | 109.5° |
| CAG | CAJ | HAJ | 111.7° | 109.5° |
| CAJ | CAG | CAA | 111.7° | 109.5° |
| CAJ | CAG | HAG | 108.7° | 109.5° |
| CAJ | CAG | HAGA | 108.2° | 109.5° |
| CAA | CAG | HAG | 108.7° | 109.5° |
| CAA | CAG | HAGA | 108.2° | 109.5° |
| CAG | CAA | HAAA | 108.9° | 109.4° |
| HAG | CAG | HAGA | 111.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | N | CAN | CA | 178.7° | 179.7° |
| N | CAQ | NAP | HAQ | 180.0° | 179.9° |
| N | CAQ | NAP | CAO | 1.3° | 0.0° |
| CAQ | N | CAN | CAO | 0.5° | 0.4° |
| CAQ | N | CAN | HAN | 179.5° | 180.0° |
| CAQ | N | CA | C | 86.4° | 90.1° |
| CAQ | N | CA | HA | 33.6° | 149.9° |
| CAQ | N | CA | HAA | 153.0° | 29.9° |
| CAN | N | CAQ | NAP | 0.5° | 0.3° |
| CAN | N | CAQ | HAQ | 179.5° | 179.8° |
| N | CAN | CAO | NAP | 1.3° | 0.4° |
| N | CAN | CAO | HAN | 180.0° | 179.6° |
| N | CAN | CAO | HAO | 178.7° | 179.8° |
| CAN | N | CA | C | 92.0° | 90.3° |
| CAN | N | CA | HA | 148.0° | 29.7° |
| CAN | N | CA | HAA | 28.5° | 149.7° |
| CA | N | CAQ | NAP | 178.2° | 180.0° |
| CA | N | CAQ | HAQ | 1.8° | 0.0° |
| CA | N | CAN | CAO | 179.2° | 179.9° |
| CA | N | CAN | HAN | 0.8° | 0.3° |
| N | CA | C | HA | 120.0° | 120.0° |
| N | CA | C | HAA | 120.6° | 119.9° |
| N | CA | HA | HAA | 120.6° | 120.0° |
| N | CA | C | O | 3.0° | 0.0° |
| N | CA | C | CAE | 178.0° | 180.0° |
| CAQ | NAP | CAO | CAN | 1.6° | 0.2° |
| CAQ | NAP | CAO | HAO | 178.4° | 180.0° |
| HAQ | CAQ | NAP | CAO | 178.7° | 180.0° |
| NAP | CAO | CAN | HAO | 180.0° | 179.8° |
| NAP | CAO | CAN | HAN | 178.7° | 180.0° |
| HAO | CAO | CAN | HAN | 1.3° | 0.3° |
| C | CA | HA | HAA | 120.6° | 120.0° |
| CA | C | O | CAE | 179.0° | 180.0° |
| CA | C | CAE | CAF | 134.1° | 60.0° |
| CA | C | CAE | CAI | 104.8° | 180.0° |
| CA | C | CAE | CAD | 13.4° | 60.0° |
| HA | CA | C | O | 123.0° | 120.0° |
| HA | CA | C | CAE | 58.0° | 60.0° |
| HAA | CA | C | O | 117.6° | 119.9° |
| HAA | CA | C | CAE | 61.4° | 60.0° |
| O | C | CAE | CAF | 46.9° | 120.0° |
| O | C | CAE | CAI | 74.2° | 0.0° |
| O | C | CAE | CAD | 167.6° | 120.0° |
| C | CAE | CAF | CAI | 118.7° | 120.0° |
| C | CAE | CAF | CAD | 120.9° | 120.1° |
| C | CAE | CAI | CAD | 118.8° | 120.1° |
| C | CAE | CAF | CAA | 176.4° | 180.0° |
| C | CAE | CAF | HAF | 56.4° | 60.0° |
| C | CAE | CAF | HAFA | 63.5° | 60.0° |
| C | CAE | CAI | CAJ | 178.2° | 180.0° |
| C | CAE | CAI | HAI | 58.2° | 60.0° |
| C | CAE | CAI | HAIA | 61.7° | 59.9° |
| C | CAE | CAD | CAC | 179.9° | 180.0° |
| C | CAE | CAD | HAD | 60.2° | 60.0° |
| C | CAE | CAD | HADA | 59.9° | 60.0° |
| CAF | CAE | CAI | CAD | 120.7° | 120.0° |
| CAE | CAF | CAA | HAF | 120.0° | 120.0° |
| CAE | CAF | CAA | HAFA | 120.1° | 120.0° |
| CAE | CAF | HAF | HAFA | 120.1° | 120.0° |
| CAF | CAE | CAI | CAJ | 61.3° | 60.0° |
| CAF | CAE | CAI | HAI | 178.7° | 180.0° |
| CAF | CAE | CAI | HAIA | 58.8° | 60.0° |
| CAF | CAE | CAD | CAC | 59.0° | 60.0° |
| CAF | CAE | CAD | HAD | 61.0° | 60.0° |
| CAF | CAE | CAD | HADA | 179.0° | 180.0° |
| CAE | CAF | CAA | CAB | 62.5° | 60.0° |
| CAE | CAF | CAA | CAG | 55.4° | 60.0° |
| CAE | CAF | CAA | HAAA | 175.7° | 180.0° |
| CAI | CAE | CAF | CAA | 57.7° | 60.0° |
| CAI | CAE | CAF | HAF | 62.4° | 60.0° |
| CAI | CAE | CAF | HAFA | 177.7° | 180.0° |
| CAE | CAI | CAJ | HAI | 120.0° | 120.0° |
| CAE | CAI | CAJ | HAIA | 120.1° | 120.0° |
| CAE | CAI | HAI | HAIA | 120.2° | 120.0° |
| CAI | CAE | CAD | CAC | 62.7° | 60.0° |
| CAI | CAE | CAD | HAD | 177.3° | 180.0° |
| CAI | CAE | CAD | HADA | 57.2° | 60.1° |
| CAE | CAI | CAJ | CAH | 57.6° | 60.0° |
| CAE | CAI | CAJ | CAG | 61.2° | 60.0° |
| CAE | CAI | CAJ | HAJ | 177.1° | 180.0° |
| CAD | CAE | CAF | CAA | 62.7° | 60.0° |
| CAD | CAE | CAF | HAF | 177.3° | 179.9° |
| CAD | CAE | CAF | HAFA | 57.4° | 60.0° |
| CAD | CAE | CAI | CAJ | 59.4° | 60.0° |
| CAD | CAE | CAI | HAI | 60.6° | 60.0° |
| CAD | CAE | CAI | HAIA | 179.6° | 180.0° |
| CAE | CAD | CAC | HAD | 120.0° | 120.0° |
| CAE | CAD | CAC | HADA | 120.0° | 120.0° |
| CAE | CAD | HAD | HADA | 120.0° | 120.0° |
| CAE | CAD | CAC | CAB | 57.0° | 60.0° |
| CAE | CAD | CAC | CAH | 62.3° | 60.0° |
| CAE | CAD | CAC | HAC | 176.8° | 180.0° |
| CAA | CAF | HAF | HAFA | 120.0° | 119.9° |
| CAF | CAA | CAB | CAC | 61.0° | 60.0° |
| CAF | CAA | CAB | CAG | 118.4° | 120.0° |
| CAF | CAA | CAB | HAAA | 121.3° | 120.0° |
| CAF | CAA | CAB | HAB | 59.0° | 60.0° |
| CAF | CAA | CAB | HABA | 179.6° | 180.0° |
| CAF | CAA | CAG | CAJ | 59.2° | 60.0° |
| CAF | CAA | CAG | HAAA | 121.4° | 120.0° |
| CAF | CAA | CAG | HAG | 179.2° | 180.0° |
| CAF | CAA | CAG | HAGA | 59.8° | 60.0° |
| HAF | CAF | CAA | CAB | 177.5° | 180.0° |
| HAF | CAF | CAA | CAG | 64.7° | 60.0° |
| HAF | CAF | CAA | HAAA | 55.6° | 60.0° |
| HAFA | CAF | CAA | CAB | 57.6° | 60.0° |
| HAFA | CAF | CAA | CAG | 175.4° | 180.0° |
| HAFA | CAF | CAA | HAAA | 64.3° | 60.0° |
| CAJ | CAI | HAI | HAIA | 120.2° | 120.0° |
| CAI | CAJ | CAH | CAC | 58.4° | 60.0° |
| CAI | CAJ | CAH | CAG | 117.7° | 120.0° |
| CAI | CAJ | CAH | HAJ | 120.6° | 120.0° |
| CAI | CAJ | CAH | HAH | 178.4° | 180.0° |
| CAI | CAJ | CAH | HAHA | 61.3° | 60.0° |
| CAI | CAJ | CAG | HAJ | 120.5° | 120.0° |
| CAI | CAJ | CAG | CAA | 61.5° | 60.0° |
| CAI | CAJ | CAG | HAG | 178.5° | 180.0° |
| CAI | CAJ | CAG | HAGA | 57.5° | 60.1° |
| HAI | CAI | CAJ | CAH | 62.4° | 60.0° |
| HAI | CAI | CAJ | CAG | 178.8° | 180.0° |
| HAI | CAI | CAJ | HAJ | 57.1° | 60.0° |
| HAIA | CAI | CAJ | CAH | 177.7° | 180.0° |
| HAIA | CAI | CAJ | CAG | 58.9° | 60.0° |
| HAIA | CAI | CAJ | HAJ | 62.7° | 60.0° |
| CAC | CAD | HAD | HADA | 119.9° | 120.0° |
| CAD | CAC | CAB | CAH | 118.5° | 120.0° |
| CAD | CAC | CAB | HAC | 120.5° | 120.0° |
| CAD | CAC | CAH | HAC | 120.5° | 120.0° |
| CAD | CAC | CAB | CAA | 59.1° | 60.0° |
| CAD | CAC | CAB | HAB | 60.9° | 60.0° |
| CAD | CAC | CAB | HABA | 178.5° | 180.0° |
| CAD | CAC | CAH | CAJ | 59.7° | 60.0° |
| CAD | CAC | CAH | HAH | 179.7° | 180.0° |
| CAD | CAC | CAH | HAHA | 60.0° | 60.0° |
| HAD | CAD | CAC | CAB | 63.0° | 60.0° |
| HAD | CAD | CAC | CAH | 177.7° | 180.0° |
| HAD | CAD | CAC | HAC | 56.8° | 60.0° |
| HADA | CAD | CAC | CAB | 177.0° | 180.0° |
| HADA | CAD | CAC | CAH | 57.6° | 60.0° |
| HADA | CAD | CAC | HAC | 63.2° | 60.0° |
| CAB | CAC | CAH | HAC | 119.8° | 120.0° |
| CAC | CAB | CAA | HAB | 120.0° | 120.0° |
| CAC | CAB | CAA | HABA | 119.4° | 120.0° |
| CAC | CAB | HAB | HABA | 119.5° | 120.0° |
| CAB | CAC | CAH | CAJ | 60.1° | 60.1° |
| CAB | CAC | CAH | HAH | 59.9° | 60.0° |
| CAB | CAC | CAH | HAHA | 179.8° | 180.0° |
| CAC | CAB | CAA | CAG | 57.4° | 60.0° |
| CAC | CAB | CAA | HAAA | 177.7° | 179.9° |
| CAH | CAC | CAB | CAA | 59.4° | 60.0° |
| CAH | CAC | CAB | HAB | 179.4° | 180.0° |
| CAH | CAC | CAB | HABA | 60.0° | 59.9° |
| CAC | CAH | CAJ | HAH | 120.0° | 120.0° |
| CAC | CAH | CAJ | HAHA | 119.7° | 119.9° |
| CAC | CAH | HAH | HAHA | 119.7° | 120.0° |
| CAC | CAH | CAJ | CAG | 59.4° | 60.0° |
| CAC | CAH | CAJ | HAJ | 178.9° | 180.0° |
| HAC | CAC | CAB | CAA | 179.6° | 180.0° |
| HAC | CAC | CAB | HAB | 59.7° | 60.0° |
| HAC | CAC | CAB | HABA | 60.9° | 60.1° |
| HAC | CAC | CAH | CAJ | 179.9° | 180.0° |
| HAC | CAC | CAH | HAH | 59.8° | 60.0° |
| HAC | CAC | CAH | HAHA | 60.5° | 60.0° |
| CAA | CAB | HAB | HABA | 119.4° | 120.0° |
| CAB | CAA | CAG | CAJ | 57.4° | 60.0° |
| CAB | CAA | CAG | HAAA | 122.0° | 120.0° |
| CAB | CAA | CAG | HAG | 62.6° | 60.0° |
| CAB | CAA | CAG | HAGA | 176.4° | 180.0° |
| HAB | CAB | CAA | CAG | 177.4° | 180.0° |
| HAB | CAB | CAA | HAAA | 62.3° | 60.0° |
| HABA | CAB | CAA | CAG | 62.0° | 60.0° |
| HABA | CAB | CAA | HAAA | 58.3° | 60.0° |
| CAJ | CAH | HAH | HAHA | 119.7° | 120.0° |
| CAH | CAJ | CAG | HAJ | 119.5° | 120.0° |
| CAH | CAJ | CAG | CAA | 58.5° | 60.0° |
| CAH | CAJ | CAG | HAG | 61.5° | 60.0° |
| CAH | CAJ | CAG | HAGA | 177.5° | 179.9° |
| HAH | CAH | CAJ | CAG | 60.6° | 60.0° |
| HAH | CAH | CAJ | HAJ | 61.0° | 60.0° |
| HAHA | CAH | CAJ | CAG | 179.0° | 180.0° |
| HAHA | CAH | CAJ | HAJ | 59.3° | 60.1° |
| CAJ | CAG | CAA | HAG | 120.0° | 120.0° |
| CAJ | CAG | CAA | HAGA | 119.0° | 120.0° |
| CAJ | CAG | HAG | HAGA | 119.1° | 119.9° |
| CAJ | CAG | CAA | HAAA | 179.4° | 180.0° |
| HAJ | CAJ | CAG | CAA | 178.0° | 180.0° |
| HAJ | CAJ | CAG | HAG | 58.0° | 59.9° |
| HAJ | CAJ | CAG | HAGA | 63.0° | 60.0° |
| CAA | CAG | HAG | HAGA | 119.1° | 120.0° |
| HAG | CAG | CAA | HAAA | 59.4° | 60.0° |
| HAGA | CAG | CAA | HAAA | 61.6° | 60.0° |
