A1IWT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.37Å | 1.46Å | |
| N03 | C02 | doub | 1.29Å | 1.29Å | |
| C04 | C02 | sing | 1.51Å | 1.54Å | |
| C05 | C04 | sing | 1.51Å | 1.63Å | |
| O06 | C05 | doub | 1.21Å | 1.19Å | |
| N07 | C05 | sing | 1.35Å | 1.43Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N07 | H072 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N03 | 115.7° | 120.0° |
| N01 | C02 | C04 | 116.3° | 120.0° |
| C02 | N01 | H012 | 120.0° | 120.0° |
| C02 | N01 | H011 | 120.0° | 120.0° |
| N03 | C02 | C04 | 127.9° | 120.0° |
| C02 | N03 | H031 | 112.0° | 120.0° |
| C02 | C04 | C05 | 106.2° | 109.5° |
| C02 | C04 | H041 | 110.3° | 109.4° |
| C02 | C04 | H042 | 110.3° | 109.5° |
| C04 | C05 | O06 | 125.1° | 120.0° |
| C04 | C05 | N07 | 115.7° | 120.0° |
| C05 | C04 | H041 | 110.3° | 109.5° |
| C05 | C04 | H042 | 110.3° | 109.5° |
| O06 | C05 | N07 | 119.2° | 120.0° |
| C05 | N07 | H071 | 120.0° | 120.0° |
| C05 | N07 | H072 | 120.0° | 120.0° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H012 | N01 | H011 | 120.0° | 120.0° |
| H071 | N07 | H072 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N03 | C04 | 179.0° | 179.7° |
| N01 | C02 | C04 | C05 | 32.4° | 76.4° |
| N01 | C02 | C04 | H041 | 151.9° | 163.7° |
| N01 | C02 | C04 | H042 | 87.1° | 43.6° |
| C02 | N01 | H012 | H011 | 180.0° | 179.9° |
| N01 | C02 | N03 | H031 | 179.0° | 175.0° |
| N03 | C02 | C04 | C05 | 148.6° | 104.0° |
| N03 | C02 | C04 | H041 | 29.1° | 16.0° |
| N03 | C02 | C04 | H042 | 91.9° | 136.0° |
| N03 | C02 | N01 | H012 | 179.1° | 179.7° |
| N03 | C02 | N01 | H011 | 0.9° | 0.3° |
| C02 | C04 | C05 | H041 | 119.5° | 119.9° |
| C02 | C04 | C05 | H042 | 119.5° | 120.0° |
| C02 | C04 | C05 | O06 | 136.1° | 5.4° |
| C02 | C04 | C05 | N07 | 42.5° | 174.6° |
| C02 | C04 | H041 | H042 | 121.5° | 120.0° |
| C04 | C02 | N01 | H012 | 0.0° | 0.1° |
| C04 | C02 | N01 | H011 | 180.0° | 180.0° |
| C04 | C02 | N03 | H031 | 0.0° | 5.3° |
| C04 | C05 | O06 | N07 | 178.5° | 180.0° |
| C05 | C04 | H041 | H042 | 121.5° | 120.1° |
| C04 | C05 | N07 | H071 | 178.6° | 0.1° |
| C04 | C05 | N07 | H072 | 1.3° | 179.9° |
| O06 | C05 | C04 | H041 | 104.4° | 114.5° |
| O06 | C05 | C04 | H042 | 16.6° | 125.4° |
| O06 | C05 | N07 | H071 | 0.0° | 179.9° |
| O06 | C05 | N07 | H072 | 180.0° | 0.0° |
| N07 | C05 | C04 | H041 | 77.0° | 65.5° |
| N07 | C05 | C04 | H042 | 161.9° | 54.6° |
| C05 | N07 | H071 | H072 | 180.0° | 179.9° |
