AGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.47Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | O6 | sing | 1.43Å | 1.46Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O6 | P | sing | 1.61Å | 1.59Å | |
| P | O1P | doub | 1.48Å | 1.45Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | O3P | sing | 1.61Å | 1.50Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 111.6° | 109.5° |
| O1 | C1 | H11 | 111.4° | 109.5° |
| O1 | C1 | H12 | 111.4° | 109.5° |
| C1 | O1 | HO1 | 111.7° | 106.9° |
| C2 | C1 | H11 | 111.4° | 109.4° |
| C2 | C1 | H12 | 111.4° | 109.5° |
| C1 | C2 | N2 | 109.1° | 109.5° |
| C1 | C2 | C3 | 111.4° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| H11 | C1 | H12 | 99.0° | 109.5° |
| N2 | C2 | C3 | 109.4° | 109.4° |
| N2 | C2 | H2 | 110.4° | 109.5° |
| C2 | N2 | HN21 | 109.1° | 106.7° |
| C2 | N2 | HN22 | 112.3° | 106.7° |
| C3 | C2 | H2 | 108.1° | 109.4° |
| C2 | C3 | O3 | 110.0° | 109.5° |
| C2 | C3 | C4 | 114.1° | 109.6° |
| C2 | C3 | H3 | 104.6° | 109.5° |
| HN21 | N2 | HN22 | 112.3° | 106.7° |
| O3 | C3 | C4 | 105.3° | 109.5° |
| O3 | C3 | H3 | 113.5° | 109.4° |
| C3 | O3 | HO3 | 110.1° | 106.8° |
| C4 | C3 | H3 | 109.4° | 109.5° |
| C3 | C4 | O4 | 108.0° | 109.5° |
| C3 | C4 | C5 | 109.9° | 109.5° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| O4 | C4 | C5 | 104.0° | 109.5° |
| O4 | C4 | H4 | 114.0° | 109.4° |
| C4 | O4 | HO4 | 108.0° | 106.7° |
| C5 | C4 | H4 | 112.2° | 109.5° |
| C4 | C5 | O5 | 108.9° | 109.5° |
| C4 | C5 | C6 | 109.8° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| O5 | C5 | C6 | 107.7° | 109.5° |
| O5 | C5 | H5 | 111.1° | 109.4° |
| C5 | O5 | HO5 | 108.9° | 106.7° |
| C6 | C5 | H5 | 110.3° | 109.5° |
| C5 | C6 | O6 | 106.1° | 109.6° |
| C5 | C6 | H61 | 113.5° | 109.5° |
| C5 | C6 | H62 | 113.4° | 109.5° |
| O6 | C6 | H61 | 113.5° | 109.5° |
| O6 | C6 | H62 | 113.5° | 109.4° |
| C6 | O6 | P | 119.9° | 106.9° |
| H61 | C6 | H62 | 97.0° | 109.4° |
| O6 | P | O1P | 107.9° | 109.4° |
| O6 | P | O2P | 111.5° | 109.5° |
| O6 | P | O3P | 109.8° | 109.5° |
| O1P | P | O2P | 113.4° | 109.5° |
| O1P | P | O3P | 111.0° | 109.5° |
| O2P | P | O3P | 103.2° | 109.5° |
| P | O2P | HOP2 | 111.4° | 106.8° |
| P | O3P | HOP3 | 109.9° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.3° | 120.0° |
| O1 | C1 | C2 | H12 | 125.3° | 120.0° |
| O1 | C1 | H11 | H12 | 117.3° | 120.0° |
| O1 | C1 | C2 | N2 | 76.4° | 60.0° |
| O1 | C1 | C2 | C3 | 162.7° | 180.0° |
| O1 | C1 | C2 | H2 | 43.8° | 60.1° |
| C2 | C1 | H11 | H12 | 117.3° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
| C1 | C2 | N2 | C3 | 122.1° | 120.1° |
| C1 | C2 | N2 | H2 | 119.0° | 120.0° |
| C1 | C2 | C3 | H2 | 119.0° | 120.0° |
| C1 | C2 | N2 | HN21 | 179.9° | 60.0° |
| C1 | C2 | N2 | HN22 | 54.8° | 53.8° |
| C1 | C2 | C3 | O3 | 60.4° | 60.0° |
| C1 | C2 | C3 | C4 | 57.7° | 180.0° |
| C1 | C2 | C3 | H3 | 177.3° | 59.9° |
| H11 | C1 | O1 | HO1 | 54.8° | 60.0° |
| H11 | C1 | C2 | N2 | 158.3° | 60.0° |
| H11 | C1 | C2 | C3 | 37.4° | 60.0° |
| H11 | C1 | C2 | H2 | 81.4° | 180.0° |
| H12 | C1 | O1 | HO1 | 54.7° | 60.0° |
| H12 | C1 | C2 | N2 | 48.9° | 180.0° |
| H12 | C1 | C2 | C3 | 72.1° | 60.0° |
| H12 | C1 | C2 | H2 | 169.1° | 60.0° |
| N2 | C2 | C3 | H2 | 120.3° | 120.0° |
| C2 | N2 | HN21 | HN22 | 125.2° | 113.8° |
| N2 | C2 | C3 | O3 | 178.8° | 60.1° |
| N2 | C2 | C3 | C4 | 63.0° | 60.0° |
| N2 | C2 | C3 | H3 | 56.5° | 180.0° |
| C3 | C2 | N2 | HN21 | 57.9° | 60.0° |
| C3 | C2 | N2 | HN22 | 176.9° | 173.8° |
| C2 | C3 | O3 | C4 | 123.5° | 120.1° |
| C2 | C3 | O3 | H3 | 116.8° | 120.0° |
| C2 | C3 | C4 | H3 | 116.8° | 120.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
| C2 | C3 | C4 | O4 | 73.6° | 59.9° |
| C2 | C3 | C4 | C5 | 173.5° | 180.0° |
| C2 | C3 | C4 | H4 | 50.4° | 60.0° |
| H2 | C2 | N2 | HN21 | 60.9° | 179.9° |
| H2 | C2 | N2 | HN22 | 64.2° | 66.3° |
| H2 | C2 | C3 | O3 | 58.5° | 180.0° |
| H2 | C2 | C3 | C4 | 176.7° | 60.0° |
| H2 | C2 | C3 | H3 | 63.8° | 60.1° |
| O3 | C3 | C4 | H3 | 122.4° | 119.9° |
| O3 | C3 | C4 | O4 | 47.3° | 60.1° |
| O3 | C3 | C4 | C5 | 65.7° | 60.0° |
| O3 | C3 | C4 | H4 | 171.3° | 180.0° |
| C4 | C3 | O3 | HO3 | 56.5° | 60.0° |
| C3 | C4 | O4 | C5 | 116.8° | 120.1° |
| C3 | C4 | O4 | H4 | 120.7° | 119.9° |
| C3 | C4 | C5 | H4 | 120.9° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 70.2° | 60.0° |
| C3 | C4 | C5 | C6 | 172.1° | 180.0° |
| C3 | C4 | C5 | H5 | 51.2° | 60.0° |
| H3 | C3 | O3 | HO3 | 63.2° | 180.0° |
| H3 | C3 | C4 | O4 | 169.7° | 180.0° |
| H3 | C3 | C4 | C5 | 56.8° | 59.9° |
| H3 | C3 | C4 | H4 | 66.3° | 60.1° |
| O4 | C4 | C5 | H4 | 123.7° | 119.9° |
| O4 | C4 | C5 | O5 | 174.4° | 180.0° |
| O4 | C4 | C5 | C6 | 56.7° | 60.0° |
| O4 | C4 | C5 | H5 | 64.2° | 60.1° |
| C5 | C4 | O4 | HO4 | 63.2° | 60.1° |
| C4 | C5 | O5 | C6 | 119.0° | 120.0° |
| C4 | C5 | O5 | H5 | 120.1° | 120.0° |
| C4 | C5 | C6 | H5 | 120.2° | 120.0° |
| C4 | C5 | O5 | HO5 | 179.9° | 60.0° |
| C4 | C5 | C6 | O6 | 66.8° | 180.0° |
| C4 | C5 | C6 | H61 | 167.9° | 59.9° |
| C4 | C5 | C6 | H62 | 58.4° | 60.0° |
| H4 | C4 | O4 | HO4 | 59.3° | 180.0° |
| H4 | C4 | C5 | O5 | 50.7° | 60.0° |
| H4 | C4 | C5 | C6 | 67.0° | 60.0° |
| H4 | C4 | C5 | H5 | 172.1° | 180.0° |
| O5 | C5 | C6 | H5 | 121.4° | 120.0° |
| O5 | C5 | C6 | O6 | 51.6° | 60.0° |
| O5 | C5 | C6 | H61 | 73.7° | 180.0° |
| O5 | C5 | C6 | H62 | 176.9° | 60.0° |
| C6 | C5 | O5 | HO5 | 61.0° | 60.1° |
| C5 | C6 | O6 | H61 | 125.3° | 120.1° |
| C5 | C6 | O6 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 119.3° | 120.0° |
| C5 | C6 | O6 | P | 168.1° | 180.0° |
| H5 | C5 | O5 | HO5 | 59.8° | 180.0° |
| H5 | C5 | C6 | O6 | 173.0° | 60.0° |
| H5 | C5 | C6 | H61 | 47.7° | 60.1° |
| H5 | C5 | C6 | H62 | 61.7° | NaN° |
| O6 | C6 | H61 | H62 | 119.4° | 119.9° |
| C6 | O6 | P | O1P | 179.9° | 60.0° |
| C6 | O6 | P | O2P | 54.8° | 180.0° |
| C6 | O6 | P | O3P | 58.9° | 60.0° |
| H61 | C6 | O6 | P | 66.6° | 59.9° |
| H62 | C6 | O6 | P | 42.9° | 60.0° |
| O6 | P | O1P | O2P | 124.0° | 120.1° |
| O6 | P | O1P | O3P | 120.4° | 119.9° |
| O6 | P | O2P | O3P | 117.8° | 120.0° |
| O6 | P | O2P | HOP2 | 180.0° | 180.0° |
| O6 | P | O3P | HOP3 | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 120.2° | 120.0° |
| O1P | P | O2P | HOP2 | 58.0° | 60.0° |
| O1P | P | O3P | HOP3 | 60.7° | 180.0° |
| O2P | P | O3P | HOP3 | 61.1° | 60.0° |
| O3P | P | O2P | HOP2 | 62.2° | 60.0° |
