4Q8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | N04 | sing | 1.34Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.35Å | 1.35Å | Aromatic |
| N04 | C05 | doub | 1.30Å | 1.35Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | N06 | sing | 1.37Å | 1.33Å | Aromatic |
| C05 | N06 | sing | 1.35Å | 1.35Å | Aromatic |
| N06 | C07 | sing | 1.46Å | 1.47Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C08 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N04 | C03 | C02 | 109.4° | 108.1° |
| C03 | N04 | C05 | 106.6° | 109.2° |
| N04 | C03 | H031 | 125.3° | 125.9° |
| C03 | C02 | C01 | 123.5° | 126.6° |
| C03 | C02 | N06 | 107.4° | 106.8° |
| C02 | C03 | H031 | 125.3° | 126.0° |
| N04 | C05 | N06 | 108.4° | 108.7° |
| N04 | C05 | H051 | 125.8° | 125.7° |
| C01 | C02 | N06 | 129.1° | 126.6° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | N06 | C05 | 108.2° | 107.2° |
| C02 | N06 | C07 | 127.9° | 126.4° |
| C05 | N06 | C07 | 123.9° | 126.4° |
| N06 | C05 | H051 | 125.8° | 125.6° |
| N06 | C07 | C08 | 115.4° | 109.5° |
| N06 | C07 | H071 | 108.0° | 109.5° |
| N06 | C07 | H072 | 108.0° | 109.5° |
| C07 | C08 | C13 | 120.1° | 120.0° |
| C07 | C08 | C09 | 120.6° | 120.0° |
| C08 | C07 | H071 | 108.0° | 109.5° |
| C08 | C07 | H072 | 108.0° | 109.5° |
| C13 | C08 | C09 | 119.3° | 120.0° |
| C08 | C13 | C12 | 120.7° | 120.0° |
| C08 | C13 | H131 | 119.6° | 120.0° |
| C08 | C09 | C10 | 120.2° | 120.0° |
| C08 | C09 | H091 | 119.9° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C13 | C12 | H121 | 120.2° | 120.0° |
| C12 | C13 | H131 | 119.6° | 120.0° |
| C09 | C10 | C11 | 120.7° | 120.0° |
| C10 | C09 | H091 | 119.9° | 120.0° |
| C09 | C10 | H101 | 119.6° | 120.0° |
| C12 | C11 | C10 | 119.4° | 120.0° |
| C12 | C11 | H111 | 120.3° | 120.0° |
| C11 | C12 | H121 | 120.2° | 120.0° |
| C11 | C10 | H101 | 119.7° | 120.0° |
| C10 | C11 | H111 | 120.3° | 120.0° |
| H071 | C07 | H072 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | C03 | C02 | H031 | 180.0° | 180.0° |
| N04 | C03 | C02 | C01 | 179.3° | 180.0° |
| N04 | C03 | C02 | N06 | 0.9° | 0.2° |
| C03 | N04 | C05 | N06 | 1.7° | 0.3° |
| C03 | N04 | C05 | H051 | 178.3° | 180.0° |
| C02 | C03 | N04 | C05 | 1.7° | 0.0° |
| C03 | C02 | C01 | N06 | 179.7° | 179.7° |
| C03 | C02 | N06 | C05 | 0.2° | 0.4° |
| C03 | C02 | N06 | C07 | 179.2° | 179.7° |
| C03 | C02 | C01 | H013 | 89.9° | 89.7° |
| C03 | C02 | C01 | H012 | 150.2° | 30.3° |
| C03 | C02 | C01 | H011 | 30.1° | 150.3° |
| N04 | C05 | N06 | C02 | 1.2° | 0.4° |
| N04 | C05 | N06 | H051 | 180.0° | 179.8° |
| N04 | C05 | N06 | C07 | 178.2° | 179.7° |
| C05 | N04 | C03 | H031 | 178.4° | 180.0° |
| C01 | C02 | N06 | C05 | 179.6° | 179.9° |
| C01 | C02 | N06 | C07 | 1.1° | 0.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.7° | 0.0° |
| C02 | N06 | C05 | C07 | 179.4° | 179.9° |
| C02 | N06 | C07 | C08 | 90.5° | 85.1° |
| C02 | N06 | C07 | H071 | 148.6° | 154.9° |
| C02 | N06 | C07 | H072 | 30.4° | 35.0° |
| N06 | C02 | C01 | H013 | 89.8° | 90.0° |
| N06 | C02 | C01 | H012 | 30.2° | 150.0° |
| N06 | C02 | C01 | H011 | 150.2° | 30.0° |
| N06 | C02 | C03 | H031 | 179.1° | 179.7° |
| C02 | N06 | C05 | H051 | 178.8° | 179.8° |
| C05 | N06 | C07 | C08 | 90.3° | 94.8° |
| C05 | N06 | C07 | H071 | 30.6° | 25.2° |
| C05 | N06 | C07 | H072 | 148.8° | 145.2° |
| N06 | C07 | C08 | H071 | 120.8° | 120.0° |
| N06 | C07 | C08 | H072 | 120.9° | 120.0° |
| N06 | C07 | C08 | C13 | 81.5° | 90.0° |
| N06 | C07 | C08 | C09 | 100.3° | 90.5° |
| N06 | C07 | H071 | H072 | 117.3° | 120.0° |
| C07 | N06 | C05 | H051 | 1.8° | 0.0° |
| C07 | C08 | C13 | C09 | 178.2° | 179.5° |
| C07 | C08 | C13 | C12 | 179.9° | 180.0° |
| C07 | C08 | C09 | C10 | 180.0° | 180.0° |
| C08 | C07 | H071 | H072 | 117.3° | 120.0° |
| C07 | C08 | C09 | H091 | 0.0° | 0.3° |
| C07 | C08 | C13 | H131 | 0.1° | 0.2° |
| C08 | C13 | C12 | H131 | 180.0° | 179.7° |
| C13 | C08 | C09 | C10 | 1.8° | 0.6° |
| C08 | C13 | C12 | C11 | 1.2° | 0.3° |
| C13 | C08 | C07 | H071 | 39.3° | 30.0° |
| C13 | C08 | C07 | H072 | 157.6° | 150.0° |
| C13 | C08 | C09 | H091 | 178.2° | 179.8° |
| C08 | C13 | C12 | H121 | 178.8° | 179.8° |
| C09 | C08 | C13 | C12 | 1.9° | 0.5° |
| C08 | C09 | C10 | H091 | 180.0° | 179.7° |
| C08 | C09 | C10 | C11 | 1.0° | 0.3° |
| C09 | C08 | C07 | H071 | 138.9° | 149.5° |
| C09 | C08 | C07 | H072 | 20.6° | 29.5° |
| C08 | C09 | C10 | H101 | 179.0° | 179.8° |
| C09 | C08 | C13 | H131 | 178.1° | 179.7° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C13 | C12 | C11 | H111 | 179.5° | 179.9° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | H111 | 179.6° | 179.9° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | H101 | 179.7° | 179.9° |
| C11 | C12 | C13 | H131 | 178.8° | 180.0° |
| C11 | C10 | C09 | H091 | 179.0° | 180.0° |
| C10 | C11 | C12 | H121 | 179.6° | 180.0° |
| H091 | C09 | C10 | H101 | 1.0° | 0.1° |
| H101 | C10 | C11 | H111 | 0.4° | 0.0° |
| H111 | C11 | C12 | H121 | 0.5° | 0.1° |
| H121 | C12 | C13 | H131 | 1.2° | 0.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
