A1I83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C09 | sing | 1.37Å | 1.40Å | Aromatic |
| N10 | C05 | sing | 1.37Å | 1.36Å | Aromatic |
| C09 | C08 | doub | 1.34Å | 1.37Å | Aromatic |
| N04 | C05 | doub | 1.33Å | 1.36Å | Aromatic |
| N04 | C03 | sing | 1.32Å | 1.33Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.42Å | Aromatic |
| C08 | C06 | sing | 1.46Å | 1.43Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | BR01 | sing | 1.89Å | 1.89Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| N10 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N10 | C05 | 108.5° | 110.0° |
| N10 | C09 | C08 | 110.0° | 109.9° |
| N10 | C09 | H4 | 125.0° | 125.0° |
| C09 | N10 | H5 | 125.7° | 125.0° |
| N10 | C05 | N04 | 125.7° | 133.2° |
| N10 | C05 | C06 | 107.8° | 107.0° |
| C05 | N10 | H5 | 125.7° | 125.0° |
| C09 | C08 | C06 | 106.3° | 106.9° |
| C09 | C08 | H3 | 126.8° | 126.6° |
| C08 | C09 | H4 | 125.0° | 125.1° |
| C05 | N04 | C03 | 113.9° | 121.7° |
| N04 | C05 | C06 | 126.6° | 119.9° |
| N04 | C03 | C02 | 122.1° | 121.5° |
| N04 | C03 | H1 | 119.0° | 119.2° |
| C05 | C06 | C08 | 107.4° | 106.2° |
| C05 | C06 | C07 | 117.7° | 119.4° |
| C08 | C06 | C07 | 134.9° | 134.3° |
| C06 | C08 | H3 | 126.9° | 126.6° |
| C03 | C02 | C07 | 124.9° | 119.4° |
| C03 | C02 | BR01 | 117.5° | 120.3° |
| C02 | C03 | H1 | 118.9° | 119.2° |
| C06 | C07 | C02 | 114.8° | 118.1° |
| C06 | C07 | H2 | 122.6° | 120.9° |
| C07 | C02 | BR01 | 117.6° | 120.3° |
| C02 | C07 | H2 | 122.6° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | N10 | C05 | H5 | 180.0° | 179.1° |
| N10 | C09 | C08 | H4 | 180.0° | 179.4° |
| C09 | N10 | C05 | N04 | 180.0° | 179.7° |
| C09 | N10 | C05 | C06 | 0.2° | 0.9° |
| N10 | C09 | C08 | C06 | 0.8° | 0.6° |
| N10 | C09 | C08 | H3 | 179.2° | 179.6° |
| C05 | N10 | C09 | C08 | 0.4° | 0.9° |
| N10 | C05 | N04 | C06 | 179.8° | 179.3° |
| N10 | C05 | N04 | C03 | 179.3° | 179.5° |
| N10 | C05 | C06 | C08 | 0.6° | 0.5° |
| N10 | C05 | C06 | C07 | 179.8° | 180.0° |
| C05 | N10 | C09 | H4 | 179.6° | 179.7° |
| C09 | C08 | C06 | C05 | 0.8° | 0.0° |
| C09 | C08 | C06 | H3 | 180.0° | 179.9° |
| C09 | C08 | C06 | C07 | 179.7° | 179.3° |
| C08 | C09 | N10 | H5 | 179.6° | 179.9° |
| N04 | C05 | C06 | C08 | 179.6° | 180.0° |
| C05 | N04 | C03 | C02 | 0.9° | 0.1° |
| N04 | C05 | C06 | C07 | 0.0° | 0.5° |
| C05 | N04 | C03 | H1 | 179.1° | 180.0° |
| N04 | C05 | N10 | H5 | 0.0° | 0.6° |
| C03 | N04 | C05 | C06 | 0.5° | 0.2° |
| N04 | C03 | C02 | H1 | 180.0° | 180.0° |
| N04 | C03 | C02 | C07 | 1.0° | 0.1° |
| N04 | C03 | C02 | BR01 | 178.6° | 179.7° |
| C05 | C06 | C08 | C07 | 179.4° | 179.4° |
| C05 | C06 | C07 | C02 | 0.1° | 0.5° |
| C05 | C06 | C07 | H2 | 179.9° | 179.5° |
| C05 | C06 | C08 | H3 | 179.1° | 179.9° |
| C06 | C05 | N10 | H5 | 179.8° | 180.0° |
| C08 | C06 | C07 | C02 | 179.5° | 179.8° |
| C08 | C06 | C07 | H2 | 0.5° | 0.2° |
| C06 | C08 | C09 | H4 | 179.2° | 180.0° |
| C03 | C02 | C07 | C06 | 0.4° | 0.2° |
| C03 | C02 | C07 | BR01 | 179.6° | 179.8° |
| C03 | C02 | C07 | H2 | 179.7° | 179.8° |
| C06 | C07 | C02 | H2 | 180.0° | 180.0° |
| C06 | C07 | C02 | BR01 | 179.2° | 180.0° |
| C07 | C06 | C08 | H3 | 0.3° | 0.5° |
| C07 | C02 | C03 | H1 | 179.1° | 180.0° |
| BR01 | C02 | C03 | H1 | 1.4° | 0.2° |
| BR01 | C02 | C07 | H2 | 0.8° | 0.0° |
| H3 | C08 | C09 | H4 | 0.8° | 0.2° |
| H4 | C09 | N10 | H5 | 0.4° | 0.5° |
