A1AQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | O01 | sing | 1.43Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| O01 | N02 | sing | 1.46Å | 1.42Å | |
| C03 | C01 | sing | 1.54Å | 1.53Å | |
| C03 | C04 | sing | 1.55Å | 1.51Å | |
| C02 | C04 | sing | 1.55Å | 1.51Å | |
| C02 | N01 | sing | 1.48Å | 1.47Å | |
| C01 | N01 | sing | 1.47Å | 1.47Å | |
| 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) |
| O01 | C05 | C04 | 109.2° | 109.4° |
| C05 | O01 | N02 | 117.0° | 114.0° |
| O01 | C05 | H8 | 109.5° | 109.4° |
| O01 | C05 | H9 | 109.6° | 109.5° |
| C05 | C04 | C03 | 114.0° | 111.0° |
| C05 | C04 | C02 | 112.0° | 111.0° |
| C05 | C04 | H7 | 109.1° | 110.9° |
| C04 | C05 | H8 | 109.5° | 109.5° |
| C04 | C05 | H9 | 109.5° | 109.5° |
| O01 | N02 | H12 | 109.5° | 111.0° |
| O01 | N02 | H13 | 109.4° | 111.0° |
| C01 | C03 | C04 | 105.3° | 103.0° |
| C03 | C01 | N01 | 108.3° | 107.2° |
| C03 | C01 | H1 | 109.8° | 109.9° |
| C03 | C01 | H2 | 109.8° | 110.0° |
| C01 | C03 | H5 | 110.5° | 110.7° |
| C01 | C03 | H6 | 110.5° | 110.7° |
| C03 | C04 | C02 | 102.6° | 101.6° |
| C04 | C03 | H5 | 110.5° | 110.7° |
| C04 | C03 | H6 | 110.5° | 110.7° |
| C03 | C04 | H7 | 109.5° | 111.0° |
| C04 | C02 | N01 | 106.2° | 104.8° |
| C04 | C02 | H3 | 110.3° | 110.4° |
| C04 | C02 | H4 | 110.3° | 110.4° |
| C02 | C04 | H7 | 109.5° | 111.0° |
| C02 | N01 | C01 | 103.2° | 108.6° |
| N01 | C02 | H3 | 110.3° | 110.4° |
| N01 | C02 | H4 | 110.3° | 110.3° |
| C02 | N01 | H10 | 111.0° | 111.0° |
| N01 | C01 | H1 | 109.7° | 109.9° |
| N01 | C01 | H2 | 109.7° | 109.9° |
| C01 | N01 | H10 | 111.0° | 111.0° |
| H1 | C01 | H2 | 109.5° | 109.8° |
| H3 | C02 | H4 | 109.5° | 110.4° |
| H5 | C03 | H6 | 109.5° | 110.8° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H12 | N02 | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C05 | C04 | H8 | 119.9° | 119.9° |
| O01 | C05 | C04 | H9 | 120.0° | 120.0° |
| O01 | C05 | C04 | C03 | 75.2° | 178.7° |
| O01 | C05 | C04 | C02 | 168.9° | 66.5° |
| O01 | C05 | C04 | H7 | 47.5° | 57.4° |
| O01 | C05 | H8 | H9 | 120.1° | 120.0° |
| C05 | O01 | N02 | H12 | 180.0° | 56.1° |
| C05 | O01 | N02 | H13 | 60.0° | 180.0° |
| C04 | C05 | O01 | N02 | 135.5° | 180.0° |
| C05 | C04 | C03 | C01 | 142.0° | 153.8° |
| C05 | C04 | C03 | C02 | 121.4° | 118.1° |
| C05 | C04 | C03 | H7 | 122.5° | 123.8° |
| C05 | C04 | C02 | H7 | 121.2° | 123.9° |
| C05 | C04 | C02 | N01 | 159.1° | 155.2° |
| C05 | C04 | C02 | H3 | 39.6° | 36.3° |
| C05 | C04 | C02 | H4 | 81.4° | 86.1° |
| C05 | C04 | C03 | H5 | 22.6° | 35.4° |
| C05 | C04 | C03 | H6 | 98.7° | 87.9° |
| C04 | C05 | H8 | H9 | 120.1° | 120.0° |
| N02 | O01 | C05 | H8 | 104.6° | 60.0° |
| N02 | O01 | C05 | H9 | 15.5° | 60.0° |
| O01 | N02 | H12 | H13 | 120.0° | 123.9° |
| C01 | C03 | C04 | H5 | 119.4° | 118.4° |
| C01 | C03 | C04 | H6 | 119.3° | 118.3° |
| C01 | C03 | C04 | C02 | 20.6° | 35.7° |
| C03 | C01 | N01 | C02 | 23.7° | 1.0° |
| C03 | C01 | N01 | H1 | 119.8° | 119.4° |
| C03 | C01 | N01 | H2 | 119.8° | 119.5° |
| C03 | C01 | H1 | H2 | 120.6° | 121.1° |
| C01 | C03 | H5 | H6 | 122.0° | 123.2° |
| C01 | C03 | C04 | H7 | 95.6° | 82.4° |
| C03 | C01 | N01 | H10 | 142.7° | 123.3° |
| C03 | C04 | C02 | H7 | 116.2° | 118.1° |
| C03 | C04 | C02 | N01 | 36.4° | 37.1° |
| C04 | C03 | C01 | N01 | 1.5° | 22.3° |
| C04 | C03 | C01 | H1 | 121.3° | 97.1° |
| C04 | C03 | C01 | H2 | 118.3° | 141.8° |
| C03 | C04 | C02 | H3 | 83.1° | 81.7° |
| C03 | C04 | C02 | H4 | 155.9° | 155.9° |
| C04 | C03 | H5 | H6 | 121.9° | 123.2° |
| C03 | C04 | C05 | H8 | 44.8° | 58.8° |
| C03 | C04 | C05 | H9 | 164.9° | 61.3° |
| C04 | C02 | N01 | H3 | 119.5° | 118.9° |
| C04 | C02 | N01 | H4 | 119.5° | 118.8° |
| C04 | C02 | N01 | C01 | 37.5° | 24.2° |
| C04 | C02 | H3 | H4 | 121.5° | 122.3° |
| C02 | C04 | C03 | H5 | 98.8° | 82.7° |
| C02 | C04 | C03 | H6 | 139.9° | 154.0° |
| C02 | C04 | C05 | H8 | 71.2° | 53.5° |
| C02 | C04 | C05 | H9 | 48.9° | 173.5° |
| C04 | C02 | N01 | H10 | 156.5° | 146.4° |
| C02 | N01 | C01 | H10 | 119.0° | 122.2° |
| C02 | N01 | C01 | H1 | 143.5° | 120.5° |
| C02 | N01 | C01 | H2 | 96.1° | 118.5° |
| N01 | C02 | H3 | H4 | 121.5° | 122.3° |
| N01 | C02 | C04 | H7 | 79.8° | 81.0° |
| N01 | C01 | H1 | H2 | 120.5° | 121.1° |
| C01 | N01 | C02 | H3 | 82.0° | 94.7° |
| C01 | N01 | C02 | H4 | 157.0° | 142.9° |
| N01 | C01 | C03 | H5 | 120.9° | 96.1° |
| N01 | C01 | C03 | H6 | 117.8° | 140.6° |
| H1 | C01 | C03 | H5 | 119.3° | 144.5° |
| H1 | C01 | C03 | H6 | 2.0° | 21.2° |
| H1 | C01 | N01 | H10 | 97.4° | 117.3° |
| H2 | C01 | C03 | H5 | 1.1° | 23.4° |
| H2 | C01 | C03 | H6 | 122.4° | 99.9° |
| H2 | C01 | N01 | H10 | 22.9° | 3.7° |
| H3 | C02 | C04 | H7 | 160.8° | 160.1° |
| H3 | C02 | N01 | H10 | 37.0° | 27.5° |
| H4 | C02 | C04 | H7 | 39.8° | 37.8° |
| H4 | C02 | N01 | H10 | 84.1° | 94.8° |
| H5 | C03 | C04 | H7 | 145.1° | 159.2° |
| H6 | C03 | C04 | H7 | 23.8° | 35.9° |
| H7 | C04 | C05 | H8 | 167.5° | 177.4° |
| H7 | C04 | C05 | H9 | 72.5° | 62.6° |






