A1EAX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| O3 | C3 | sing | 1.43Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| O2H | C2H | sing | 1.43Å | 1.45Å | |
| O5 | C5 | sing | 1.43Å | 1.49Å | |
| N4 | C4 | sing | 1.47Å | 1.48Å | |
| N4 | C1H | sing | 1.47Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O7H | C7H | sing | 1.43Å | 1.41Å | |
| C6H | C1H | sing | 1.50Å | 1.43Å | |
| C6H | C5H | doub | 1.29Å | 1.60Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C2H | C1H | sing | 1.53Å | 1.71Å | |
| C2H | C3H | sing | 1.53Å | 1.30Å | |
| C7H | C5H | sing | 1.51Å | 1.53Å | |
| C3H | C4H | sing | 1.53Å | 1.74Å | |
| C3H | O3H | sing | 1.43Å | 1.46Å | |
| C5H | C4H | sing | 1.50Å | 1.45Å | |
| C4H | O4H | sing | 1.43Å | 1.37Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2H | H2H | sing | 1.09Å | 1.10Å | |
| C7H | H7H | sing | 1.09Å | 1.10Å | |
| C7H | H7HA | sing | 1.09Å | 1.10Å | |
| C6H | H6H | sing | 1.08Å | 1.08Å | |
| C1H | H1H | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3H | H3H | sing | 1.09Å | 1.10Å | |
| C4H | H4H | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 1.01Å | 1.00Å | |
| O7H | HO7H | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2H | HO2H | sing | 0.97Å | 0.95Å | |
| O3H | HO3H | sing | 0.97Å | 0.95Å | |
| O4H | HO4H | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 106.8° | 109.5° |
| O2 | C2 | C1 | 107.9° | 109.5° |
| O2 | C2 | H2 | 111.7° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O3 | C3 | C2 | 107.2° | 109.5° |
| O3 | C3 | C4 | 111.2° | 109.5° |
| O3 | C3 | H3 | 108.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | C1 | 109.2° | 109.2° |
| C2 | C3 | C4 | 114.3° | 109.1° |
| C3 | C2 | H2 | 110.8° | 109.5° |
| C2 | C3 | H3 | 108.0° | 109.6° |
| C2 | C1 | O5 | 107.6° | 109.4° |
| C1 | C2 | H2 | 110.3° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C2 | C1 | O1 | 109.2° | 109.5° |
| C3 | C4 | N4 | 105.8° | 109.5° |
| C3 | C4 | C5 | 118.3° | 109.2° |
| C4 | C3 | H3 | 107.7° | 109.5° |
| C3 | C4 | H4 | 107.2° | 109.5° |
| C1 | O5 | C5 | 111.2° | 114.1° |
| O5 | C1 | H1 | 110.0° | 109.5° |
| O5 | C1 | O1 | 109.6° | 109.4° |
| O2H | C2H | C1H | 106.2° | 109.6° |
| O2H | C2H | C3H | 112.1° | 109.6° |
| O2H | C2H | H2H | 108.8° | 109.8° |
| C2H | O2H | HO2H | 109.5° | 114.0° |
| O5 | C5 | C4 | 114.3° | 109.4° |
| O5 | C5 | C6 | 105.9° | 109.4° |
| O5 | C5 | H5 | 107.5° | 109.5° |
| C4 | N4 | C1H | 106.7° | 111.0° |
| N4 | C4 | C5 | 111.0° | 109.5° |
| N4 | C4 | H4 | 107.4° | 109.6° |
| C4 | N4 | HN4 | 110.1° | 111.0° |
| N4 | C1H | C6H | 112.5° | 109.3° |
| N4 | C1H | C2H | 107.7° | 109.4° |
| N4 | C1H | H1H | 109.9° | 109.3° |
| C1H | N4 | HN4 | 110.1° | 111.0° |
| C4 | C5 | C6 | 114.4° | 109.5° |
| C5 | C4 | H4 | 106.6° | 109.5° |
| C4 | C5 | H5 | 106.9° | 109.5° |
| O7H | C7H | C5H | 107.5° | 109.4° |
| O7H | C7H | H7H | 110.0° | 109.5° |
| O7H | C7H | H7HA | 110.0° | 109.5° |
| C7H | O7H | HO7H | 109.5° | 114.0° |
| C1H | C6H | C5H | 109.3° | 124.0° |
| C6H | C1H | C2H | 110.6° | 110.2° |
| C1H | C6H | H6H | 125.3° | 118.0° |
| C6H | C1H | H1H | 109.6° | 109.3° |
| C6H | C5H | C7H | 117.9° | 118.0° |
| C6H | C5H | C4H | 113.2° | 124.1° |
| C5H | C6H | H6H | 125.3° | 118.0° |
| C6 | C5 | H5 | 107.5° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.4° |
| C5 | C6 | H62 | 109.5° | 109.4° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| C1H | C2H | C3H | 112.3° | 108.4° |
| C1H | C2H | H2H | 106.0° | 109.6° |
| C2H | C1H | H1H | 106.3° | 109.3° |
| C2H | C3H | C4H | 114.8° | 108.5° |
| C2H | C3H | O3H | 105.4° | 109.7° |
| C3H | C2H | H2H | 111.2° | 109.7° |
| C2H | C3H | H3H | 111.6° | 109.6° |
| C7H | C5H | C4H | 120.5° | 117.9° |
| C5H | C7H | H7H | 110.0° | 109.5° |
| C5H | C7H | H7HA | 110.0° | 109.5° |
| C4H | C3H | O3H | 110.0° | 109.6° |
| C3H | C4H | C5H | 114.2° | 110.1° |
| C3H | C4H | O4H | 110.7° | 109.3° |
| C4H | C3H | H3H | 105.9° | 109.6° |
| C3H | C4H | H4H | 105.2° | 109.4° |
| O3H | C3H | H3H | 109.2° | 109.8° |
| C3H | O3H | HO3H | 109.5° | 114.0° |
| C5H | C4H | O4H | 108.8° | 109.4° |
| C5H | C4H | H4H | 108.4° | 109.3° |
| O4H | C4H | H4H | 109.4° | 109.2° |
| C4H | O4H | HO4H | 109.5° | 114.0° |
| H7H | C7H | H7HA | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| H1 | C1 | O1 | 111.1° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | O3 | 71.4° | 177.2° |
| O2 | C2 | C3 | C1 | 116.5° | 119.9° |
| O2 | C2 | C3 | H2 | 121.8° | 120.2° |
| O2 | C2 | C1 | H2 | 122.3° | 120.2° |
| O2 | C2 | C3 | C4 | 164.9° | 62.9° |
| O2 | C2 | C1 | O5 | 174.4° | 62.3° |
| O2 | C2 | C3 | H3 | 45.0° | 57.0° |
| O2 | C2 | C1 | H1 | 55.0° | 177.7° |
| O2 | C2 | C1 | O1 | 66.7° | 57.7° |
| O3 | C3 | C2 | C4 | 123.7° | 119.9° |
| O3 | C3 | C2 | H3 | 116.4° | 120.2° |
| O3 | C3 | C2 | C1 | 172.1° | 62.9° |
| O3 | C3 | C4 | H3 | 118.4° | 120.2° |
| O3 | C3 | C4 | N4 | 22.2° | 57.0° |
| O3 | C3 | C4 | C5 | 147.4° | 62.9° |
| O3 | C3 | C2 | H2 | 50.4° | 57.0° |
| O3 | C3 | C4 | H4 | 92.2° | 177.2° |
| C3 | C2 | C1 | H2 | 122.0° | 119.9° |
| C2 | C3 | C4 | H3 | 120.1° | 119.9° |
| C3 | C2 | C1 | O5 | 69.8° | 57.6° |
| C2 | C3 | C4 | N4 | 99.3° | 176.9° |
| C2 | C3 | C4 | C5 | 25.8° | 57.0° |
| C2 | C3 | C4 | H4 | 146.3° | 62.9° |
| C3 | C2 | C1 | H1 | 170.8° | 62.4° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C3 | C2 | C1 | O1 | 49.0° | 177.6° |
| C1 | C2 | C3 | C4 | 48.4° | 57.0° |
| C2 | C1 | O5 | H1 | 119.0° | 120.1° |
| C2 | C1 | O5 | O1 | 118.6° | 120.0° |
| C2 | C1 | O5 | C5 | 66.5° | 61.2° |
| C1 | C2 | C3 | H3 | 71.5° | 176.9° |
| C2 | C1 | H1 | O1 | 120.6° | 120.0° |
| C1 | C2 | O2 | HO2 | 62.7° | 60.3° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 22.0° | 57.6° |
| C3 | C4 | N4 | C5 | 129.6° | 119.7° |
| C3 | C4 | N4 | H4 | 114.2° | 120.1° |
| C3 | C4 | N4 | C1H | 126.3° | 155.0° |
| C3 | C4 | C5 | H4 | 120.7° | 119.9° |
| C3 | C4 | C5 | C6 | 144.4° | 62.3° |
| C4 | C3 | C2 | H2 | 73.3° | 176.9° |
| C3 | C4 | C5 | H5 | 96.8° | 177.5° |
| C3 | C4 | N4 | HN4 | 6.7° | 31.1° |
| C4 | C3 | O3 | HO3 | 54.4° | 179.6° |
| C1 | O5 | C5 | C4 | 42.4° | 61.2° |
| C1 | O5 | C5 | C6 | 169.2° | 58.8° |
| O5 | C1 | C2 | H2 | 52.2° | 177.5° |
| C1 | O5 | C5 | H5 | 76.1° | 178.9° |
| O5 | C1 | H1 | O1 | 121.6° | 120.0° |
| O5 | C1 | O1 | HO1 | 62.5° | 60.1° |
| O2H | C2H | C1H | N4 | 55.7° | 49.9° |
| O2H | C2H | C1H | C6H | 67.6° | 70.3° |
| O2H | C2H | C1H | C3H | 122.8° | 119.7° |
| O2H | C2H | C1H | H2H | 115.7° | 120.6° |
| O2H | C2H | C3H | H2H | 122.0° | 120.7° |
| O2H | C2H | C3H | C4H | 120.2° | 52.2° |
| O2H | C2H | C3H | O3H | 118.7° | 171.9° |
| O2H | C2H | C1H | H1H | 173.5° | 169.6° |
| O2H | C2H | C3H | H3H | 0.4° | 67.5° |
| O5 | C5 | C4 | N4 | 100.6° | 177.5° |
| O5 | C5 | C4 | C6 | 122.3° | 119.9° |
| O5 | C5 | C4 | H5 | 118.8° | 119.9° |
| O5 | C5 | C6 | H5 | 114.7° | 120.0° |
| O5 | C5 | C4 | H4 | 142.7° | 62.3° |
| O5 | C5 | C6 | H61 | 180.0° | 69.3° |
| O5 | C5 | C6 | H62 | 60.0° | 170.8° |
| O5 | C5 | C6 | H63 | 60.0° | 50.8° |
| C5 | O5 | C1 | H1 | 174.5° | 58.9° |
| C5 | O5 | C1 | O1 | 52.0° | 178.9° |
| C4 | N4 | C1H | HN4 | 119.6° | 124.0° |
| N4 | C4 | C5 | H4 | 116.7° | 120.2° |
| C4 | N4 | C1H | C6H | 57.6° | 84.3° |
| N4 | C4 | C5 | C6 | 21.8° | 57.5° |
| C4 | N4 | C1H | C2H | 179.7° | 155.0° |
| N4 | C4 | C3 | H3 | 140.6° | 63.2° |
| C4 | N4 | C1H | H1H | 64.8° | 35.3° |
| N4 | C4 | C5 | H5 | 140.6° | 62.6° |
| C1H | N4 | C4 | C5 | 104.2° | 85.3° |
| N4 | C1H | C6H | C2H | 120.5° | 120.2° |
| N4 | C1H | C6H | H1H | 122.6° | 119.6° |
| N4 | C1H | C6H | C5H | 175.5° | 137.4° |
| N4 | C1H | C2H | H1H | 117.8° | 119.6° |
| N4 | C1H | C2H | C3H | 178.5° | 169.6° |
| N4 | C1H | C2H | H2H | 59.9° | 70.7° |
| N4 | C1H | C6H | H6H | 4.5° | 42.7° |
| C1H | N4 | C4 | H4 | 12.0° | 34.9° |
| C4 | C5 | C6 | H5 | 118.5° | 120.1° |
| C5 | C4 | C3 | H3 | 94.2° | 176.9° |
| C4 | C5 | C6 | H61 | 53.2° | 170.8° |
| C4 | C5 | C6 | H62 | 66.8° | 50.8° |
| C4 | C5 | C6 | H63 | 173.2° | 69.2° |
| C5 | C4 | N4 | HN4 | 136.3° | 150.7° |
| O7H | C7H | C5H | C6H | 15.9° | 0.0° |
| O7H | C7H | C5H | H7H | 119.7° | 120.0° |
| O7H | C7H | C5H | H7HA | 119.7° | 120.0° |
| O7H | C7H | C5H | C4H | 161.9° | 180.0° |
| O7H | C7H | H7H | H7HA | 120.9° | 120.0° |
| C1H | C6H | C5H | H6H | 180.0° | 180.0° |
| C6H | C1H | C2H | H1H | 118.9° | 120.2° |
| C6H | C1H | C2H | C3H | 55.2° | 49.4° |
| C1H | C6H | C5H | C7H | 165.9° | 179.5° |
| C1H | C6H | C5H | C4H | 17.5° | 0.5° |
| C6H | C1H | C2H | H2H | 176.8° | 169.1° |
| C6H | C1H | N4 | HN4 | 62.0° | 39.7° |
| C5H | C6H | C1H | C2H | 64.0° | 17.1° |
| C6H | C5H | C7H | C4H | 146.0° | 180.0° |
| C6H | C5H | C4H | C3H | 35.8° | 17.1° |
| C6H | C5H | C4H | O4H | 160.2° | 103.0° |
| C6H | C5H | C7H | H7H | 135.6° | 120.0° |
| C6H | C5H | C7H | H7HA | 103.8° | 120.0° |
| C5H | C6H | C1H | H1H | 52.9° | 103.1° |
| C6H | C5H | C4H | H4H | 81.0° | 137.4° |
| C6 | C5 | C4 | H4 | 94.9° | 177.8° |
| C5 | C6 | H61 | H62 | 120.0° | 119.9° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| C1H | C2H | C3H | H2H | 118.5° | 119.7° |
| C1H | C2H | C3H | C4H | 0.7° | 67.4° |
| C1H | C2H | C3H | O3H | 121.9° | 52.3° |
| C2H | C1H | C6H | H6H | 116.0° | 162.9° |
| C1H | C2H | C3H | H3H | 119.8° | 172.9° |
| C2H | C1H | N4 | HN4 | 60.2° | 81.0° |
| C1H | C2H | O2H | HO2H | 180.0° | 180.0° |
| C2H | C3H | C4H | O3H | 118.6° | 119.7° |
| C2H | C3H | C4H | H3H | 123.6° | 119.7° |
| C2H | C3H | O3H | H3H | 119.9° | 120.5° |
| C2H | C3H | C4H | C5H | 46.2° | 49.4° |
| C2H | C3H | C4H | O4H | 169.5° | 70.8° |
| C3H | C2H | C1H | H1H | 63.7° | 70.8° |
| C2H | C3H | C4H | H4H | 72.4° | 169.6° |
| C3H | C2H | O2H | HO2H | 57.1° | 61.1° |
| C2H | C3H | O3H | HO3H | 180.0° | 180.0° |
| C7H | C5H | C4H | C3H | 111.6° | 162.9° |
| C7H | C5H | C4H | O4H | 12.7° | 76.9° |
| C5H | C7H | H7H | H7HA | 120.9° | 120.0° |
| C7H | C5H | C6H | H6H | 14.1° | 0.5° |
| C7H | C5H | C4H | H4H | 131.5° | 42.6° |
| C5H | C7H | O7H | HO7H | 180.0° | 180.0° |
| C4H | C3H | O3H | H3H | 115.8° | 120.5° |
| C3H | C4H | C5H | O4H | 124.3° | 120.2° |
| C3H | C4H | C5H | H4H | 116.8° | 120.3° |
| C3H | C4H | O4H | H4H | 115.5° | 119.7° |
| C4H | C3H | C2H | H2H | 117.8° | 172.9° |
| C4H | C3H | O3H | HO3H | 55.8° | 61.0° |
| C3H | C4H | O4H | HO4H | 180.0° | 179.3° |
| O3H | C3H | C4H | C5H | 164.8° | 70.3° |
| O3H | C3H | C4H | O4H | 71.9° | 169.5° |
| O3H | C3H | C2H | H2H | 3.3° | 67.4° |
| O3H | C3H | C4H | H4H | 46.2° | 49.9° |
| C5H | C4H | O4H | H4H | 118.2° | 119.6° |
| C4H | C5H | C7H | H7H | 78.4° | 60.0° |
| C4H | C5H | C7H | H7HA | 42.2° | 60.0° |
| C4H | C5H | C6H | H6H | 162.5° | 179.5° |
| C5H | C4H | C3H | H3H | 77.3° | 169.1° |
| C5H | C4H | O4H | HO4H | 53.7° | 60.0° |
| O4H | C4H | C3H | H3H | 45.9° | 48.9° |
| H2 | C2 | C3 | H3 | 166.8° | 63.2° |
| H2 | C2 | C1 | H1 | 67.3° | 57.5° |
| H2 | C2 | O2 | HO2 | 58.7° | 59.9° |
| H2 | C2 | C1 | O1 | 171.0° | 62.5° |
| H3 | C3 | C4 | H4 | 26.2° | 57.0° |
| H3 | C3 | O3 | HO3 | 63.7° | 60.2° |
| H2H | C2H | C1H | H1H | 57.8° | 48.9° |
| H2H | C2H | C3H | H3H | 121.7° | 53.2° |
| H2H | C2H | O2H | HO2H | 66.3° | 59.5° |
| H7H | C7H | O7H | HO7H | 60.3° | 59.9° |
| H7HA | C7H | O7H | HO7H | 60.3° | 60.1° |
| H6H | C6H | C1H | H1H | 127.1° | 76.9° |
| H1H | C1H | N4 | HN4 | 175.6° | 159.3° |
| H4 | C4 | C5 | H5 | 23.9° | 57.6° |
| H4 | C4 | N4 | HN4 | 107.5° | 89.1° |
| H5 | C5 | C6 | H61 | 65.3° | 50.7° |
| H5 | C5 | C6 | H62 | 174.7° | 69.2° |
| H5 | C5 | C6 | H63 | 54.8° | 170.8° |
| H61 | C6 | H62 | H63 | 120.0° | 120.1° |
| H1 | C1 | O1 | HO1 | 59.3° | 59.9° |
| H3H | C3H | C4H | H4H | 164.0° | 70.7° |
| H3H | C3H | O3H | HO3H | 60.1° | 59.5° |
| H4H | C4H | O4H | HO4H | 64.5° | 59.6° |
