A1IWS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.37Å | 1.39Å | |
| N03 | C02 | sing | 1.37Å | 1.43Å | |
| N04 | N03 | sing | 1.40Å | 1.41Å | |
| C05 | N04 | sing | 1.35Å | 1.43Å | |
| O06 | C05 | doub | 1.22Å | 1.22Å | |
| C07 | C05 | sing | 1.40Å | 1.45Å | |
| C02 | C07 | doub | 1.37Å | 1.37Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N03 | 120.6° | 126.0° |
| N01 | C02 | C07 | 130.6° | 126.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N03 | N04 | 107.3° | 108.0° |
| N03 | C02 | C07 | 108.8° | 108.0° |
| C02 | N03 | H031 | 110.0° | 126.0° |
| N03 | N04 | C05 | 108.8° | 107.9° |
| N04 | N03 | H031 | 110.0° | 126.0° |
| N03 | N04 | H041 | 125.6° | 126.0° |
| N04 | C05 | O06 | 120.7° | 126.0° |
| N04 | C05 | C07 | 105.8° | 108.1° |
| C05 | N04 | H041 | 125.6° | 126.0° |
| O06 | C05 | C07 | 133.5° | 126.0° |
| C05 | C07 | C02 | 109.3° | 108.0° |
| C05 | C07 | H071 | 125.4° | 125.9° |
| C02 | C07 | H071 | 125.3° | 126.0° |
| H011 | N01 | H012 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N03 | C07 | 179.6° | 179.8° |
| N01 | C02 | N03 | N04 | 179.7° | 180.0° |
| N01 | C02 | C07 | C05 | 179.4° | 180.0° |
| N01 | C02 | C07 | H071 | 0.6° | 0.0° |
| C02 | N01 | H011 | H012 | 120.0° | 179.9° |
| N01 | C02 | N03 | H031 | 60.1° | 0.0° |
| C02 | N03 | N04 | H031 | 119.7° | 180.0° |
| C02 | N03 | N04 | C05 | 0.4° | 0.1° |
| N03 | C02 | C07 | C05 | 0.1° | 0.3° |
| N03 | C02 | C07 | H071 | 179.9° | 179.8° |
| N03 | C02 | N01 | H011 | 180.0° | 179.7° |
| N03 | C02 | N01 | H012 | 60.0° | 0.2° |
| C02 | N03 | N04 | H041 | 179.7° | 179.9° |
| N03 | N04 | C05 | H041 | 180.0° | 180.0° |
| N03 | N04 | C05 | O06 | 179.7° | 180.0° |
| N03 | N04 | C05 | C07 | 0.4° | 0.0° |
| N04 | N03 | C02 | C07 | 0.2° | 0.2° |
| N04 | C05 | O06 | C07 | 179.8° | 180.0° |
| N04 | C05 | C07 | C02 | 0.3° | 0.2° |
| N04 | C05 | C07 | H071 | 179.7° | 179.8° |
| C05 | N04 | N03 | H031 | 119.3° | 179.9° |
| O06 | C05 | C07 | C02 | 179.8° | 179.8° |
| O06 | C05 | C07 | H071 | 0.1° | 0.1° |
| O06 | C05 | N04 | H041 | 0.3° | 0.0° |
| C05 | C07 | C02 | H071 | 180.0° | 180.0° |
| C07 | C05 | N04 | H041 | 179.6° | 180.0° |
| C07 | C02 | N01 | H011 | 0.5° | 0.0° |
| C07 | C02 | N01 | H012 | 120.5° | 180.0° |
| C07 | C02 | N03 | H031 | 119.5° | 179.8° |
| H031 | N03 | N04 | H041 | 60.6° | 0.2° |
