XGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.39Å | 1.44Å | |
| C03 | C02 | doub | 1.39Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| N06 | C05 | sing | 1.32Å | 1.32Å | Aromatic |
| N07 | N06 | doub | 1.28Å | 1.38Å | Aromatic |
| C02 | N07 | sing | 1.33Å | 1.32Å | Aromatic |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | 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) |
| N01 | C02 | C03 | 119.3° | 120.2° |
| N01 | C02 | N07 | 120.6° | 120.1° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N01 | H012 | 109.4° | 119.9° |
| C02 | C03 | C04 | 120.2° | 117.9° |
| C03 | C02 | N07 | 120.1° | 119.7° |
| C02 | C03 | H031 | 119.9° | 121.0° |
| C03 | C04 | C05 | 118.6° | 118.1° |
| C04 | C03 | H031 | 119.9° | 121.1° |
| C03 | C04 | H041 | 120.7° | 121.0° |
| C04 | C05 | N06 | 120.4° | 120.0° |
| C05 | C04 | H041 | 120.7° | 120.9° |
| C04 | C05 | H051 | 119.8° | 120.0° |
| C05 | N06 | N07 | 120.1° | 122.4° |
| N06 | C05 | H051 | 119.8° | 120.1° |
| N06 | N07 | C02 | 120.5° | 122.0° |
| H011 | N01 | H012 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | N07 | 178.2° | 179.7° |
| N01 | C02 | C03 | C04 | 176.4° | 180.0° |
| N01 | C02 | N07 | N06 | 179.3° | 179.7° |
| C02 | N01 | H011 | H012 | 120.0° | 179.7° |
| N01 | C02 | C03 | H031 | 3.6° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 3.9° | 0.0° |
| C03 | C02 | N07 | N06 | 1.1° | 0.6° |
| C03 | C02 | N01 | H011 | 178.1° | 179.7° |
| C03 | C02 | N01 | H012 | 58.2° | 0.0° |
| C02 | C03 | C04 | H041 | 176.1° | 179.9° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | N06 | 3.2° | 0.0° |
| C04 | C03 | C02 | N07 | 1.8° | 0.3° |
| C03 | C04 | C05 | H051 | 176.9° | 180.0° |
| C04 | C05 | N06 | H051 | 180.0° | 180.0° |
| C04 | C05 | N06 | N07 | 0.4° | 0.2° |
| C05 | C04 | C03 | H031 | 176.1° | 179.9° |
| C05 | N06 | N07 | C02 | 1.8° | 0.5° |
| N06 | C05 | C04 | H041 | 176.8° | 179.9° |
| N07 | N06 | C05 | H051 | 179.7° | 179.7° |
| N07 | C02 | N01 | H011 | 0.0° | 0.0° |
| N07 | C02 | N01 | H012 | 120.0° | 179.7° |
| N07 | C02 | C03 | H031 | 178.2° | 179.8° |
| H031 | C03 | C04 | H041 | 3.9° | 0.0° |
| H041 | C04 | C05 | H051 | 3.1° | 0.1° |
