A1IVS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | doub | 1.34Å | 1.40Å | Aromatic |
| C08 | C04 | sing | 1.46Å | 1.41Å | Aromatic |
| C07 | N06 | sing | 1.37Å | 1.32Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.42Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.38Å | Aromatic |
| N06 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.37Å | |
| C02 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | F10 | sing | 1.35Å | 1.36Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C04 | 107.4° | 107.0° |
| C08 | C07 | N06 | 108.6° | 109.9° |
| C08 | C07 | H071 | 125.7° | 125.1° |
| C07 | C08 | H081 | 126.3° | 126.5° |
| C08 | C04 | C03 | 134.4° | 133.9° |
| C08 | C04 | C05 | 105.5° | 106.1° |
| C04 | C08 | H081 | 126.3° | 126.5° |
| C07 | N06 | C05 | 109.0° | 109.8° |
| N06 | C07 | H071 | 125.7° | 125.0° |
| C07 | N06 | H061 | 125.5° | 125.1° |
| C04 | C03 | C02 | 119.4° | 119.7° |
| C03 | C04 | C05 | 120.2° | 120.0° |
| C04 | C03 | H031 | 120.3° | 120.2° |
| C03 | C02 | F01 | 121.4° | 119.8° |
| C03 | C02 | C11 | 120.2° | 120.3° |
| C02 | C03 | H031 | 120.3° | 120.2° |
| C04 | C05 | N06 | 109.5° | 107.1° |
| C04 | C05 | C09 | 119.8° | 119.5° |
| N06 | C05 | C09 | 130.6° | 133.4° |
| C05 | N06 | H061 | 125.5° | 125.1° |
| F01 | C02 | C11 | 118.4° | 119.9° |
| C02 | C11 | C09 | 120.3° | 120.6° |
| C02 | C11 | H111 | 119.9° | 119.7° |
| C05 | C09 | C11 | 120.1° | 119.9° |
| C05 | C09 | F10 | 120.0° | 120.0° |
| C11 | C09 | F10 | 119.8° | 120.0° |
| C09 | C11 | H111 | 119.9° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C04 | H081 | 180.0° | 179.9° |
| C08 | C07 | N06 | H071 | 180.0° | 180.0° |
| C07 | C08 | C04 | C03 | 179.8° | 180.0° |
| C07 | C08 | C04 | C05 | 0.2° | 0.0° |
| C08 | C07 | N06 | C05 | 0.2° | 0.0° |
| C08 | C07 | N06 | H061 | 179.8° | 180.0° |
| C04 | C08 | C07 | N06 | 0.3° | 0.0° |
| C08 | C04 | C03 | C05 | 180.0° | 180.0° |
| C08 | C04 | C03 | C02 | 179.7° | 180.0° |
| C08 | C04 | C05 | N06 | 0.1° | 0.0° |
| C08 | C04 | C05 | C09 | 179.5° | 180.0° |
| C08 | C04 | C03 | H031 | 0.3° | 0.1° |
| C04 | C08 | C07 | H071 | 179.8° | 179.9° |
| C07 | N06 | C05 | C04 | 0.0° | 0.0° |
| C07 | N06 | C05 | H061 | 180.0° | 180.0° |
| C07 | N06 | C05 | C09 | 179.6° | 180.0° |
| N06 | C07 | C08 | H081 | 179.7° | 180.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C03 | C04 | C05 | N06 | 179.9° | 180.0° |
| C04 | C03 | C02 | F01 | 179.9° | 179.7° |
| C04 | C03 | C02 | C11 | 0.8° | 0.0° |
| C03 | C04 | C05 | C09 | 0.5° | 0.0° |
| C03 | C04 | C08 | H081 | 0.2° | 0.1° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | F01 | C11 | 179.1° | 179.7° |
| C03 | C02 | C11 | C09 | 0.6° | 0.0° |
| C03 | C02 | C11 | H111 | 179.4° | 180.0° |
| C04 | C05 | N06 | C09 | 179.6° | 180.0° |
| C04 | C05 | C09 | C11 | 0.7° | 0.0° |
| C04 | C05 | C09 | F10 | 179.9° | 180.0° |
| C05 | C04 | C03 | H031 | 179.7° | 180.0° |
| C05 | C04 | C08 | H081 | 179.7° | 180.0° |
| C04 | C05 | N06 | H061 | 180.0° | 180.0° |
| N06 | C05 | C09 | C11 | 179.7° | 180.0° |
| N06 | C05 | C09 | F10 | 0.4° | 0.1° |
| C05 | N06 | C07 | H071 | 179.8° | 180.0° |
| F01 | C02 | C11 | C09 | 179.7° | 179.7° |
| F01 | C02 | C03 | H031 | 0.1° | 0.3° |
| F01 | C02 | C11 | H111 | 0.3° | 0.3° |
| C02 | C11 | C09 | C05 | 0.2° | 0.0° |
| C02 | C11 | C09 | H111 | 180.0° | 180.0° |
| C02 | C11 | C09 | F10 | 179.6° | 180.0° |
| C11 | C02 | C03 | H031 | 179.2° | 180.0° |
| C05 | C09 | C11 | F10 | 179.4° | 180.0° |
| C05 | C09 | C11 | H111 | 179.8° | 180.0° |
| C09 | C05 | N06 | H061 | 0.4° | 0.0° |
| F10 | C09 | C11 | H111 | 0.5° | 0.0° |
| H071 | C07 | C08 | H081 | 0.3° | 0.0° |
| H071 | C07 | N06 | H061 | 0.1° | 0.1° |
