A1AQO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.47Å | 1.47Å | |
| C02 | C04 | sing | 1.54Å | 1.53Å | |
| C01 | N01 | sing | 1.48Å | 1.47Å | |
| C01 | C03 | sing | 1.55Å | 1.52Å | |
| C04 | C03 | sing | 1.55Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| O01 | C05 | sing | 1.43Å | 1.40Å | |
| O01 | N02 | sing | 1.46Å | 1.44Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| N01 | H10 | sing | 1.01Å | 1.00Å | |
| N02 | H12 | sing | 1.01Å | 1.00Å | |
| N02 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C04 | 108.1° | 107.2° |
| C02 | N01 | C01 | 103.8° | 108.6° |
| N01 | C02 | H3 | 109.8° | 109.9° |
| N01 | C02 | H4 | 109.8° | 109.9° |
| C02 | N01 | H10 | 110.9° | 111.0° |
| C02 | C04 | C03 | 104.5° | 103.0° |
| C02 | C04 | C05 | 112.5° | 110.7° |
| C04 | C02 | H3 | 109.8° | 109.9° |
| C04 | C02 | H4 | 109.8° | 109.9° |
| C02 | C04 | H7 | 108.7° | 110.7° |
| N01 | C01 | C03 | 106.6° | 104.8° |
| N01 | C01 | H1 | 110.2° | 110.3° |
| N01 | C01 | H2 | 110.2° | 110.4° |
| C01 | N01 | H10 | 110.9° | 111.0° |
| C01 | C03 | C04 | 105.3° | 101.7° |
| C03 | C01 | H1 | 110.2° | 110.4° |
| C03 | C01 | H2 | 110.2° | 110.4° |
| C01 | C03 | H5 | 110.5° | 111.0° |
| C01 | C03 | H6 | 110.5° | 111.0° |
| C03 | C04 | C05 | 113.7° | 110.7° |
| C04 | C03 | H5 | 110.5° | 111.0° |
| C04 | C03 | H6 | 110.5° | 111.0° |
| C03 | C04 | H7 | 108.8° | 110.7° |
| C04 | C05 | O01 | 107.1° | 109.5° |
| C05 | C04 | H7 | 108.6° | 110.8° |
| C04 | C05 | H8 | 110.1° | 109.5° |
| C04 | C05 | H9 | 110.1° | 109.4° |
| C05 | O01 | N02 | 117.8° | 114.0° |
| O01 | C05 | H8 | 110.1° | 109.5° |
| O01 | C05 | H9 | 110.1° | 109.5° |
| O01 | N02 | H12 | 109.5° | 111.0° |
| O01 | N02 | H13 | 109.4° | 111.0° |
| H1 | C01 | H2 | 109.5° | 110.4° |
| H3 | C02 | H4 | 109.5° | 110.0° |
| H5 | C03 | H6 | 109.5° | 110.8° |
| H8 | C05 | H9 | 109.4° | 109.4° |
| H12 | N02 | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C04 | H3 | 119.8° | 119.4° |
| N01 | C02 | C04 | H4 | 119.8° | 119.4° |
| C02 | N01 | C01 | H10 | 119.1° | 122.3° |
| C02 | N01 | C01 | C03 | 34.6° | 24.1° |
| N01 | C02 | C04 | C03 | 16.1° | 22.2° |
| N01 | C02 | C04 | C05 | 107.7° | 140.7° |
| C02 | N01 | C01 | H1 | 85.0° | 142.9° |
| C02 | N01 | C01 | H2 | 154.2° | 94.8° |
| N01 | C02 | H3 | H4 | 120.7° | 121.1° |
| N01 | C02 | C04 | H7 | 132.1° | 96.1° |
| C04 | C02 | N01 | C01 | 31.5° | 1.0° |
| C02 | C04 | C03 | C01 | 5.1° | 35.6° |
| C02 | C04 | C03 | C05 | 123.0° | 118.4° |
| C02 | C04 | C03 | H7 | 115.9° | 118.3° |
| C02 | C04 | C05 | H7 | 120.3° | 123.1° |
| C02 | C04 | C05 | O01 | 90.7° | 66.4° |
| C04 | C02 | H3 | H4 | 120.6° | 121.1° |
| C02 | C04 | C03 | H5 | 124.5° | 153.8° |
| C02 | C04 | C03 | H6 | 114.2° | 82.5° |
| C02 | C04 | C05 | H8 | 149.6° | 173.5° |
| C02 | C04 | C05 | H9 | 28.9° | 53.6° |
| C04 | C02 | N01 | H10 | 150.6° | 123.2° |
| N01 | C01 | C03 | H1 | 119.6° | 118.8° |
| N01 | C01 | C03 | H2 | 119.6° | 118.8° |
| N01 | C01 | C03 | C04 | 24.7° | 37.1° |
| N01 | C01 | H1 | H2 | 121.3° | 122.3° |
| C01 | N01 | C02 | H3 | 151.3° | 118.4° |
| C01 | N01 | C02 | H4 | 88.2° | 120.4° |
| N01 | C01 | C03 | H5 | 144.1° | 155.2° |
| N01 | C01 | C03 | H6 | 94.6° | 81.1° |
| C01 | C03 | C04 | H5 | 119.3° | 118.1° |
| C01 | C03 | C04 | H6 | 119.3° | 118.1° |
| C01 | C03 | C04 | C05 | 128.1° | 154.0° |
| C03 | C01 | H1 | H2 | 121.3° | 122.4° |
| C01 | C03 | H5 | H6 | 121.9° | 123.8° |
| C01 | C03 | C04 | H7 | 110.8° | 82.7° |
| C03 | C01 | N01 | H10 | 153.7° | 146.4° |
| C03 | C04 | C05 | H7 | 121.2° | 123.2° |
| C03 | C04 | C05 | O01 | 150.8° | 179.9° |
| C04 | C03 | C01 | H1 | 94.9° | 155.8° |
| C04 | C03 | C01 | H2 | 144.3° | 81.8° |
| C03 | C04 | C02 | H3 | 135.9° | 141.7° |
| C03 | C04 | C02 | H4 | 103.7° | 97.1° |
| C04 | C03 | H5 | H6 | 121.9° | 123.9° |
| C03 | C04 | C05 | H8 | 31.1° | 59.9° |
| C03 | C04 | C05 | H9 | 89.6° | 60.0° |
| C04 | C05 | O01 | H8 | 119.7° | 120.0° |
| C04 | C05 | O01 | H9 | 119.6° | 120.0° |
| C04 | C05 | O01 | N02 | 172.0° | 180.0° |
| C05 | C04 | C02 | H3 | 12.1° | 99.9° |
| C05 | C04 | C02 | H4 | 132.5° | 21.3° |
| C05 | C04 | C03 | H5 | 112.5° | 87.8° |
| C05 | C04 | C03 | H6 | 8.8° | 35.9° |
| C04 | C05 | H8 | H9 | 121.1° | 119.9° |
| O01 | C05 | C04 | H7 | 29.6° | 56.7° |
| O01 | C05 | H8 | H9 | 121.1° | 120.0° |
| C05 | O01 | N02 | H12 | 180.0° | 56.0° |
| C05 | O01 | N02 | H13 | 60.0° | 180.0° |
| N02 | O01 | C05 | H8 | 52.4° | 60.0° |
| N02 | O01 | C05 | H9 | 68.3° | 60.0° |
| O01 | N02 | H12 | H13 | 120.0° | 124.0° |
| H1 | C01 | C03 | H5 | 24.5° | 86.0° |
| H1 | C01 | C03 | H6 | 145.8° | 37.7° |
| H1 | C01 | N01 | H10 | 34.1° | 94.8° |
| H2 | C01 | C03 | H5 | 96.4° | 36.4° |
| H2 | C01 | C03 | H6 | 25.0° | 160.1° |
| H2 | C01 | N01 | H10 | 86.8° | 27.5° |
| H3 | C02 | C04 | H7 | 108.2° | 23.3° |
| H3 | C02 | N01 | H10 | 89.6° | 3.8° |
| H4 | C02 | C04 | H7 | 12.3° | 144.5° |
| H4 | C02 | N01 | H10 | 30.8° | 117.4° |
| H5 | C03 | C04 | H7 | 8.5° | 35.4° |
| H6 | C03 | C04 | H7 | 129.9° | 159.2° |
| H7 | C04 | C05 | H8 | 90.1° | 63.3° |
| H7 | C04 | C05 | H9 | 149.2° | 176.8° |






