A2G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C5 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | C2 | sing | 1.47Å | 1.44Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | N2 | sing | 1.35Å | 1.31Å | |
| O7 | C7 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O5 | C1 | 121.8° | 114.1° |
| O5 | C5 | C4 | 113.7° | 109.5° |
| O5 | C5 | C6 | 105.7° | 109.5° |
| O5 | C5 | H5 | 110.3° | 109.5° |
| O5 | C1 | C2 | 111.3° | 109.4° |
| O5 | C1 | H1 | 108.7° | 109.4° |
| O5 | C1 | O1 | 111.2° | 109.5° |
| C2 | C1 | H1 | 105.5° | 109.5° |
| C2 | C1 | O1 | 114.1° | 109.5° |
| C1 | C2 | C3 | 111.6° | 109.2° |
| C1 | C2 | H2 | 104.6° | 109.5° |
| C1 | C2 | N2 | 113.7° | 109.5° |
| H1 | C1 | O1 | 105.5° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 113.9° |
| C3 | C2 | H2 | 110.3° | 109.6° |
| C3 | C2 | N2 | 108.4° | 109.5° |
| C2 | C3 | C4 | 113.2° | 109.0° |
| C2 | C3 | O3 | 111.2° | 109.5° |
| C2 | C3 | H3 | 105.0° | 109.5° |
| H2 | C2 | N2 | 108.2° | 109.5° |
| C2 | N2 | HN2 | 112.7° | 119.9° |
| C2 | N2 | C7 | 134.5° | 120.0° |
| HN2 | N2 | C7 | 112.7° | 120.0° |
| C4 | C3 | O3 | 107.4° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.6° |
| C3 | C4 | O4 | 107.5° | 109.5° |
| C3 | C4 | H4 | 110.1° | 109.5° |
| C3 | C4 | C5 | 112.6° | 109.2° |
| O3 | C3 | H3 | 111.0° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C4 | H4 | 109.4° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C4 | C5 | 113.2° | 109.5° |
| H4 | C4 | C5 | 104.0° | 109.6° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C4 | C5 | H5 | 103.5° | 109.5° |
| C6 | C5 | H5 | 111.7° | 109.5° |
| C5 | C6 | O6 | 117.3° | 109.5° |
| C5 | C6 | H61 | 106.9° | 109.5° |
| C5 | C6 | H62 | 106.9° | 109.5° |
| O6 | C6 | H61 | 106.9° | 109.5° |
| O6 | C6 | H62 | 106.9° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 111.9° | 109.5° |
| N2 | C7 | O7 | 128.0° | 120.0° |
| N2 | C7 | C8 | 111.1° | 120.0° |
| O7 | C7 | C8 | 120.9° | 120.0° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.4° |
| H81 | C8 | H83 | 109.5° | 109.4° |
| H82 | C8 | H83 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | O5 | C1 | C2 | 46.3° | 61.1° |
| C5 | O5 | C1 | H1 | 162.0° | 178.9° |
| C5 | O5 | C1 | O1 | 82.2° | 58.9° |
| O5 | C5 | C4 | C3 | 41.7° | 57.6° |
| O5 | C5 | C4 | O4 | 80.5° | 62.3° |
| O5 | C5 | C4 | H4 | 160.9° | 177.5° |
| O5 | C5 | C4 | C6 | 119.9° | 120.0° |
| O5 | C5 | C4 | H5 | 119.6° | 120.0° |
| O5 | C5 | C6 | H5 | 119.9° | 120.0° |
| O5 | C5 | C6 | O6 | 135.9° | 65.0° |
| O5 | C5 | C6 | H61 | 104.1° | 175.0° |
| O5 | C5 | C6 | H62 | 15.9° | 55.0° |
| O5 | C1 | C2 | H1 | 117.7° | 119.9° |
| O5 | C1 | C2 | O1 | 126.9° | 120.0° |
| O5 | C1 | H1 | O1 | 119.4° | 120.0° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| O5 | C1 | C2 | C3 | 47.8° | 57.6° |
| O5 | C1 | C2 | H2 | 71.5° | 62.3° |
| O5 | C1 | C2 | N2 | 170.8° | 177.6° |
| C1 | O5 | C5 | C4 | 43.1° | 61.1° |
| C1 | O5 | C5 | C6 | 166.6° | 178.9° |
| C1 | O5 | C5 | H5 | 72.5° | 58.8° |
| C2 | C1 | H1 | O1 | 121.1° | 120.0° |
| C2 | C1 | O1 | HO1 | 53.1° | 179.9° |
| C1 | C2 | C3 | H2 | 115.8° | 119.9° |
| C1 | C2 | C3 | N2 | 125.9° | 119.9° |
| C1 | C2 | H2 | N2 | 121.5° | 120.1° |
| C1 | C2 | N2 | HN2 | 72.9° | 95.0° |
| C1 | C2 | C3 | C4 | 51.4° | 57.0° |
| C1 | C2 | C3 | O3 | 172.5° | 176.9° |
| C1 | C2 | C3 | H3 | 67.4° | 62.9° |
| C1 | C2 | N2 | C7 | 107.0° | 85.0° |
| H1 | C1 | O1 | HO1 | 62.3° | 60.0° |
| H1 | C1 | C2 | C3 | 165.5° | 177.6° |
| H1 | C1 | C2 | H2 | 46.2° | 57.6° |
| H1 | C1 | C2 | N2 | 71.5° | 62.5° |
| O1 | C1 | C2 | C3 | 79.1° | 62.4° |
| O1 | C1 | C2 | H2 | 161.6° | 177.7° |
| O1 | C1 | C2 | N2 | 43.8° | 57.5° |
| C3 | C2 | H2 | N2 | 118.3° | 120.2° |
| C3 | C2 | N2 | HN2 | 51.8° | 24.6° |
| C2 | C3 | C4 | O3 | 123.2° | 119.9° |
| C2 | C3 | C4 | H3 | 116.5° | 119.9° |
| C2 | C3 | O3 | H3 | 116.6° | 120.2° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 77.6° | 62.9° |
| C2 | C3 | C4 | H4 | 163.3° | 177.0° |
| C2 | C3 | C4 | C5 | 47.8° | 57.0° |
| C3 | C2 | N2 | C7 | 128.2° | 155.3° |
| H2 | C2 | N2 | HN2 | 171.4° | 144.8° |
| H2 | C2 | C3 | C4 | 64.4° | 62.9° |
| H2 | C2 | C3 | O3 | 56.6° | 56.9° |
| H2 | C2 | C3 | H3 | 176.8° | 177.2° |
| H2 | C2 | N2 | C7 | 8.7° | 35.1° |
| C2 | N2 | HN2 | C7 | 180.0° | 179.9° |
| N2 | C2 | C3 | C4 | 177.3° | 176.9° |
| N2 | C2 | C3 | O3 | 61.6° | 63.3° |
| N2 | C2 | C3 | H3 | 58.6° | 57.0° |
| C2 | N2 | C7 | O7 | 8.8° | 0.0° |
| C2 | N2 | C7 | C8 | 170.3° | 180.0° |
| HN2 | N2 | C7 | O7 | 171.3° | 180.0° |
| HN2 | N2 | C7 | C8 | 9.6° | 0.0° |
| C4 | C3 | O3 | H3 | 119.1° | 120.2° |
| C4 | C3 | O3 | HO3 | 55.6° | 60.4° |
| C3 | C4 | O4 | H4 | 119.6° | 120.1° |
| C3 | C4 | O4 | C5 | 125.0° | 119.7° |
| C3 | C4 | H4 | C5 | 120.8° | 119.7° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 161.5° | 177.6° |
| C3 | C4 | C5 | H5 | 77.9° | 62.4° |
| O3 | C3 | C4 | O4 | 45.6° | 56.9° |
| O3 | C3 | C4 | H4 | 73.5° | 63.2° |
| O3 | C3 | C4 | C5 | 170.9° | 176.8° |
| H3 | C3 | O3 | HO3 | 63.4° | 59.8° |
| H3 | C3 | C4 | O4 | 166.0° | 177.2° |
| H3 | C3 | C4 | H4 | 46.9° | 57.1° |
| H3 | C3 | C4 | C5 | 68.7° | 62.9° |
| O4 | C4 | H4 | C5 | 121.2° | 120.2° |
| O4 | C4 | C5 | C6 | 39.4° | 57.7° |
| O4 | C4 | C5 | H5 | 159.9° | 177.7° |
| H4 | C4 | O4 | HO4 | 60.4° | 59.9° |
| H4 | C4 | C5 | C6 | 79.3° | 62.4° |
| H4 | C4 | C5 | H5 | 41.3° | 57.6° |
| HO4 | O4 | C4 | C5 | 55.1° | 60.3° |
| C4 | C5 | C6 | H5 | 115.7° | 120.0° |
| C4 | C5 | C6 | O6 | 99.7° | 175.0° |
| C4 | C5 | C6 | H61 | 20.3° | 55.0° |
| C4 | C5 | C6 | H62 | 140.3° | 65.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 116.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 16.0° | 55.0° |
| H5 | C5 | C6 | H61 | 135.9° | 64.9° |
| H5 | C5 | C6 | H62 | 104.0° | 175.0° |
| O6 | C6 | H61 | H62 | 116.7° | 120.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.1° |
| N2 | C7 | O7 | C8 | 179.0° | 180.0° |
| N2 | C7 | C8 | H81 | 179.2° | 0.0° |
| N2 | C7 | C8 | H82 | 60.8° | 120.0° |
| N2 | C7 | C8 | H83 | 59.2° | 120.0° |
| O7 | C7 | C8 | H81 | 0.0° | 180.0° |
| O7 | C7 | C8 | H82 | 120.0° | 60.0° |
| O7 | C7 | C8 | H83 | 120.0° | 60.0° |
| C7 | C8 | H81 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| H81 | C8 | H82 | H83 | 120.0° | 119.9° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
