A1KEN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C03 | C02 | doub | 1.35Å | 1.48Å | |
| C04 | C03 | sing | 1.42Å | 1.46Å | |
| O05 | C04 | doub | 1.22Å | 1.19Å | |
| C06 | C04 | sing | 1.47Å | 1.52Å | |
| C07 | C06 | doub | 1.40Å | 1.42Å | Aromatic |
| N08 | C07 | sing | 1.37Å | 1.49Å | |
| N09 | C07 | sing | 1.35Å | 1.32Å | Aromatic |
| N10 | N09 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | N10 | doub | 1.30Å | 1.37Å | Aromatic |
| C02 | N08 | sing | 1.36Å | 1.43Å | |
| C06 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 121.3° | 118.8° |
| C01 | C02 | N08 | 117.1° | 118.9° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C03 | C04 | 120.0° | 119.8° |
| C03 | C02 | N08 | 121.6° | 122.2° |
| C02 | C03 | H031 | 120.0° | 120.1° |
| C03 | C04 | O05 | 120.7° | 121.1° |
| C03 | C04 | C06 | 117.9° | 117.8° |
| C04 | C03 | H031 | 120.0° | 120.1° |
| O05 | C04 | C06 | 121.4° | 121.1° |
| C04 | C06 | C07 | 120.4° | 118.6° |
| C04 | C06 | C11 | 133.7° | 134.1° |
| C06 | C07 | N08 | 121.1° | 119.7° |
| C06 | C07 | N09 | 109.9° | 106.8° |
| C07 | C06 | C11 | 105.8° | 107.3° |
| N08 | C07 | N09 | 128.9° | 133.5° |
| C07 | N08 | C02 | 118.9° | 121.8° |
| C07 | N08 | H081 | 120.5° | 119.1° |
| C07 | N09 | N10 | 107.5° | 108.5° |
| C07 | N09 | H091 | 126.2° | 125.8° |
| N09 | N10 | C11 | 110.0° | 109.3° |
| N10 | N09 | H091 | 126.2° | 125.7° |
| N10 | C11 | C06 | 106.7° | 108.1° |
| N10 | C11 | H111 | 126.6° | 126.0° |
| C02 | N08 | H081 | 120.5° | 119.0° |
| C06 | C11 | H111 | 126.6° | 125.9° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N08 | 179.1° | 179.7° |
| C01 | C02 | C03 | C04 | 179.2° | 180.0° |
| C01 | C02 | N08 | C07 | 179.9° | 179.7° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.8° | 0.1° |
| C01 | C02 | N08 | H081 | 0.1° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | O05 | 178.8° | 180.0° |
| C02 | C03 | C04 | C06 | 1.9° | 0.0° |
| C03 | C02 | N08 | C07 | 0.7° | 0.6° |
| C03 | C02 | C01 | H011 | 180.0° | 89.8° |
| C03 | C02 | C01 | H012 | 60.0° | 30.3° |
| C03 | C02 | C01 | H013 | 60.0° | 150.3° |
| C03 | C02 | N08 | H081 | 179.3° | 179.7° |
| C03 | C04 | O05 | C06 | 179.2° | 180.0° |
| C03 | C04 | C06 | C07 | 1.2° | 0.0° |
| C04 | C03 | C02 | N08 | 1.7° | 0.3° |
| C03 | C04 | C06 | C11 | 179.9° | 180.0° |
| O05 | C04 | C06 | C07 | 179.5° | 180.0° |
| O05 | C04 | C06 | C11 | 0.7° | 0.0° |
| O05 | C04 | C03 | H031 | 1.2° | 0.1° |
| C04 | C06 | C07 | C11 | 179.1° | 180.0° |
| C04 | C06 | C07 | N08 | 0.3° | 0.3° |
| C04 | C06 | C07 | N09 | 179.3° | 180.0° |
| C04 | C06 | C11 | N10 | 178.8° | 180.0° |
| C06 | C04 | C03 | H031 | 178.1° | 179.9° |
| C04 | C06 | C11 | H111 | 1.2° | 0.0° |
| C06 | C07 | N08 | N09 | 179.5° | 179.6° |
| C06 | C07 | N09 | N10 | 0.5° | 0.0° |
| C07 | C06 | C11 | N10 | 0.2° | 0.0° |
| C06 | C07 | N08 | C02 | 0.0° | 0.5° |
| C07 | C06 | C11 | H111 | 179.8° | 180.0° |
| C06 | C07 | N08 | H081 | 180.0° | 179.7° |
| C06 | C07 | N09 | H091 | 179.5° | 180.0° |
| N08 | C07 | N09 | N10 | 179.1° | 179.7° |
| C07 | N08 | C02 | H081 | 180.0° | 179.8° |
| N08 | C07 | C06 | C11 | 179.4° | 179.7° |
| N08 | C07 | N09 | H091 | 0.9° | 0.3° |
| C07 | N09 | N10 | H091 | 180.0° | 180.0° |
| C07 | N09 | N10 | C11 | 0.6° | 0.0° |
| N09 | C07 | N08 | C02 | 179.5° | 179.8° |
| N09 | C07 | C06 | C11 | 0.2° | 0.0° |
| N09 | C07 | N08 | H081 | 0.5° | 0.0° |
| N09 | N10 | C11 | C06 | 0.4° | 0.0° |
| N09 | N10 | C11 | H111 | 179.6° | 180.0° |
| N10 | C11 | C06 | H111 | 180.0° | 180.0° |
| C11 | N10 | N09 | H091 | 179.4° | 180.0° |
| N08 | C02 | C01 | H011 | 0.8° | 90.0° |
| N08 | C02 | C01 | H012 | 119.2° | 149.9° |
| N08 | C02 | C01 | H013 | 120.9° | 30.0° |
| N08 | C02 | C03 | H031 | 178.3° | 179.8° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
