A1IWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | sing | 1.53Å | 1.50Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| N06 | C05 | sing | 1.47Å | 1.54Å | |
| C07 | N06 | sing | 1.47Å | 1.53Å | |
| C02 | C07 | sing | 1.53Å | 1.49Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 1.01Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 107.1° | 109.5° |
| O01 | C02 | C07 | 108.9° | 109.5° |
| O01 | C02 | H021 | 111.5° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C03 | C04 | 108.3° | 109.2° |
| C03 | C02 | C07 | 108.9° | 109.3° |
| C03 | C02 | H021 | 110.1° | 109.5° |
| C02 | C03 | H031 | 109.8° | 109.5° |
| C02 | C03 | H032 | 109.8° | 109.5° |
| C03 | C04 | C05 | 110.4° | 109.3° |
| C04 | C03 | H031 | 109.8° | 109.5° |
| C04 | C03 | H032 | 109.7° | 109.6° |
| C03 | C04 | H041 | 109.3° | 109.5° |
| C03 | C04 | H042 | 109.3° | 109.5° |
| C04 | C05 | N06 | 110.9° | 109.5° |
| C05 | C04 | H041 | 109.2° | 109.5° |
| C05 | C04 | H042 | 109.2° | 109.5° |
| C04 | C05 | H051 | 109.1° | 109.4° |
| C04 | C05 | H052 | 109.1° | 109.5° |
| C05 | N06 | C07 | 107.4° | 111.2° |
| N06 | C05 | H051 | 109.1° | 109.5° |
| N06 | C05 | H052 | 109.1° | 109.5° |
| C05 | N06 | H061 | 110.0° | 111.0° |
| N06 | C07 | C02 | 108.9° | 109.5° |
| N06 | C07 | H071 | 109.6° | 109.5° |
| N06 | C07 | H072 | 109.6° | 109.4° |
| C07 | N06 | H061 | 110.0° | 110.9° |
| C07 | C02 | H021 | 110.2° | 109.5° |
| C02 | C07 | H071 | 109.6° | 109.5° |
| C02 | C07 | H072 | 109.6° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H071 | C07 | H072 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C07 | 117.6° | 120.0° |
| O01 | C02 | C03 | H021 | 121.4° | 120.1° |
| O01 | C02 | C03 | C04 | 53.6° | 177.6° |
| O01 | C02 | C07 | N06 | 50.3° | 179.1° |
| O01 | C02 | C07 | H021 | 122.6° | 120.0° |
| O01 | C02 | C03 | H031 | 66.2° | 57.7° |
| O01 | C02 | C03 | H032 | 173.4° | 62.4° |
| O01 | C02 | C07 | H071 | 69.6° | 60.8° |
| O01 | C02 | C07 | H072 | 170.2° | 59.2° |
| C02 | C03 | C04 | H031 | 119.8° | 119.9° |
| C02 | C03 | C04 | H032 | 119.8° | 120.0° |
| C02 | C03 | C04 | C05 | 59.1° | 57.6° |
| C03 | C02 | C07 | N06 | 66.2° | 59.1° |
| C03 | C02 | C07 | H021 | 120.9° | 120.0° |
| C02 | C03 | H031 | H032 | 120.6° | 120.1° |
| C02 | C03 | C04 | H041 | 61.0° | 177.6° |
| C02 | C03 | C04 | H042 | 179.3° | 62.4° |
| C03 | C02 | C07 | H071 | 173.9° | 179.2° |
| C03 | C02 | C07 | H072 | 53.7° | 60.8° |
| C03 | C02 | O01 | H011 | 180.0° | 179.8° |
| C03 | C04 | C05 | H041 | 120.1° | 120.0° |
| C03 | C04 | C05 | H042 | 120.1° | 120.0° |
| C03 | C04 | C05 | N06 | 56.8° | 59.2° |
| C04 | C03 | C02 | C07 | 64.0° | 57.6° |
| C04 | C03 | C02 | H021 | 175.0° | 62.3° |
| C04 | C03 | H031 | H032 | 120.5° | 120.2° |
| C03 | C04 | H041 | H042 | 119.6° | 120.1° |
| C03 | C04 | C05 | H051 | 177.0° | 60.9° |
| C03 | C04 | C05 | H052 | 63.4° | 179.2° |
| C04 | C05 | N06 | H051 | 120.2° | 120.0° |
| C04 | C05 | N06 | H052 | 120.2° | 120.0° |
| C04 | C05 | N06 | C07 | 56.8° | 61.7° |
| C05 | C04 | C03 | H031 | 179.0° | 62.3° |
| C05 | C04 | C03 | H032 | 60.7° | 177.6° |
| C05 | C04 | H041 | H042 | 119.6° | 120.1° |
| C04 | C05 | H051 | H052 | 119.3° | 120.0° |
| C04 | C05 | N06 | H061 | 62.9° | 174.2° |
| C05 | N06 | C07 | H061 | 119.7° | 124.1° |
| C05 | N06 | C07 | C02 | 61.2° | 61.7° |
| N06 | C05 | C04 | H041 | 63.3° | 179.1° |
| N06 | C05 | C04 | H042 | 176.9° | 60.8° |
| N06 | C05 | H051 | H052 | 119.3° | 120.0° |
| C05 | N06 | C07 | H071 | 178.9° | 178.2° |
| C05 | N06 | C07 | H072 | 58.7° | 58.2° |
| N06 | C07 | C02 | H071 | 119.9° | 120.1° |
| N06 | C07 | C02 | H072 | 119.9° | 120.0° |
| N06 | C07 | C02 | H021 | 172.9° | 60.8° |
| C07 | N06 | C05 | H051 | 177.1° | 58.3° |
| C07 | N06 | C05 | H052 | 63.4° | 178.2° |
| N06 | C07 | H071 | H072 | 120.3° | 120.0° |
| C07 | C02 | C03 | H031 | 176.2° | 62.3° |
| C07 | C02 | C03 | H032 | 55.8° | 177.6° |
| C02 | C07 | H071 | H072 | 120.3° | 120.0° |
| C02 | C07 | N06 | H061 | 58.5° | 174.2° |
| C07 | C02 | O01 | H011 | 62.4° | 60.0° |
| H021 | C02 | C03 | H031 | 55.2° | 177.8° |
| H021 | C02 | C03 | H032 | 65.2° | 57.7° |
| H021 | C02 | C07 | H071 | 53.0° | 59.2° |
| H021 | C02 | C07 | H072 | 67.2° | 179.2° |
| H021 | C02 | O01 | H011 | 59.5° | 60.1° |
| H031 | C03 | C04 | H041 | 58.8° | 57.7° |
| H031 | C03 | C04 | H042 | 60.9° | 177.8° |
| H032 | C03 | C04 | H041 | 179.2° | 62.4° |
| H032 | C03 | C04 | H042 | 59.5° | 57.6° |
| H041 | C04 | C05 | H051 | 56.9° | 59.1° |
| H041 | C04 | C05 | H052 | 176.4° | 60.8° |
| H042 | C04 | C05 | H051 | 62.8° | 179.1° |
| H042 | C04 | C05 | H052 | 56.7° | 59.2° |
| H051 | C05 | N06 | H061 | 57.4° | 65.8° |
| H052 | C05 | N06 | H061 | 176.9° | 54.2° |
| H071 | C07 | N06 | H061 | 61.4° | 54.1° |
| H072 | C07 | N06 | H061 | 178.4° | 65.9° |
