A1I2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.49Å | |
| N06 | C02 | doub | 1.31Å | 1.27Å | Aromatic |
| N06 | C05 | sing | 1.34Å | 1.29Å | Aromatic |
| F08 | C07 | sing | 1.40Å | 1.29Å | |
| C02 | N03 | sing | 1.35Å | 1.31Å | Aromatic |
| F09 | C07 | sing | 1.40Å | 1.29Å | |
| C05 | C07 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | doub | 1.35Å | 1.34Å | Aromatic |
| C07 | F10 | sing | 1.40Å | 1.29Å | |
| N03 | C04 | sing | 1.37Å | 1.29Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N03 | H4 | sing | 0.97Å | 1.00Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N06 | 125.1° | 125.6° |
| C01 | C02 | N03 | 126.0° | 125.7° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | N06 | C05 | 108.5° | 109.2° |
| N06 | C02 | N03 | 108.8° | 108.7° |
| N06 | C05 | C07 | 126.7° | 126.0° |
| N06 | C05 | C04 | 108.0° | 108.0° |
| F08 | C07 | F09 | 106.9° | 109.4° |
| F08 | C07 | C05 | 114.3° | 109.5° |
| F08 | C07 | F10 | 113.4° | 109.5° |
| C02 | N03 | C04 | 108.2° | 107.2° |
| C02 | N03 | H4 | 125.9° | 126.4° |
| F09 | C07 | C05 | 112.5° | 109.4° |
| F09 | C07 | F10 | 100.0° | 109.5° |
| C07 | C05 | C04 | 125.2° | 126.0° |
| C05 | C07 | F10 | 108.9° | 109.5° |
| C05 | C04 | N03 | 106.3° | 106.8° |
| C05 | C04 | H5 | 126.8° | 126.6° |
| C04 | N03 | H4 | 125.9° | 126.4° |
| N03 | C04 | H5 | 126.8° | 126.6° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N06 | N03 | 177.0° | 179.7° |
| C01 | C02 | N06 | C05 | 178.2° | 179.9° |
| C01 | C02 | N03 | C04 | 178.5° | 179.9° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | N03 | H4 | 1.5° | 0.1° |
| C02 | N06 | C05 | C07 | 176.7° | 179.8° |
| C02 | N06 | C05 | C04 | 0.4° | 0.4° |
| N06 | C02 | N03 | C04 | 1.5° | 0.2° |
| N06 | C02 | C01 | H1 | 0.0° | 90.4° |
| N06 | C02 | C01 | H2 | 120.0° | 29.7° |
| N06 | C02 | C01 | H3 | 120.0° | 149.7° |
| N06 | C02 | N03 | H4 | 178.5° | 179.8° |
| N06 | C05 | C07 | F08 | 83.7° | 30.3° |
| C05 | N06 | C02 | N03 | 1.2° | 0.4° |
| N06 | C05 | C07 | F09 | 38.4° | 150.2° |
| N06 | C05 | C07 | C04 | 176.7° | 179.7° |
| N06 | C05 | C07 | F10 | 148.3° | 89.8° |
| N06 | C05 | C04 | N03 | 0.5° | 0.3° |
| N06 | C05 | C04 | H5 | 179.5° | 179.8° |
| F08 | C07 | F09 | C05 | 126.2° | 119.9° |
| F08 | C07 | F09 | F10 | 118.4° | 120.0° |
| F08 | C07 | C05 | F10 | 128.0° | 120.1° |
| F08 | C07 | C05 | C04 | 99.6° | 150.0° |
| C02 | N03 | C04 | C05 | 1.2° | 0.0° |
| C02 | N03 | C04 | H4 | 180.0° | 180.0° |
| N03 | C02 | C01 | H1 | 176.5° | 90.0° |
| N03 | C02 | C01 | H2 | 63.5° | 150.0° |
| N03 | C02 | C01 | H3 | 56.5° | 30.0° |
| C02 | N03 | C04 | H5 | 178.8° | 179.9° |
| F09 | C07 | C05 | F10 | 109.9° | 120.0° |
| F09 | C07 | C05 | C04 | 138.3° | 30.1° |
| C07 | C05 | C04 | N03 | 177.7° | 180.0° |
| C07 | C05 | C04 | H5 | 2.3° | 0.1° |
| C04 | C05 | C07 | F10 | 28.4° | 90.0° |
| C05 | C04 | N03 | H5 | 180.0° | 179.9° |
| C05 | C04 | N03 | H4 | 178.8° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | N03 | C04 | H5 | 1.2° | 0.1° |
