Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | N2 | sing | 1.35Å | 1.38Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | O1P | sing | 1.43Å | 1.41Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| N2 | O2 | sing | 1.42Å | 1.37Å | |
| N2 | HN | sing | 0.97Å | 1.02Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1P | P | sing | 1.61Å | 1.55Å | |
| O2P | P | doub | 1.48Å | 1.51Å | |
| O3P | P | sing | 1.61Å | 1.53Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O4P | P | sing | 1.61Å | 1.60Å | |
| O4P | HOP4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N2 | 111.6° | 120.1° |
| C2 | C1 | O1 | 125.2° | 120.0° |
| C1 | C2 | O1P | 114.1° | 109.5° |
| C1 | C2 | H21 | 110.6° | 109.5° |
| C1 | C2 | H22 | 110.5° | 109.4° |
| N2 | C1 | O1 | 119.5° | 119.9° |
| C1 | N2 | O2 | 105.6° | 120.0° |
| C1 | N2 | HN | 127.7° | 119.9° |
| O1P | C2 | H21 | 110.5° | 109.5° |
| O1P | C2 | H22 | 110.5° | 109.4° |
| C2 | O1P | P | 122.8° | 106.8° |
| H21 | C2 | H22 | 99.7° | 109.4° |
| O2 | N2 | HN | 126.8° | 120.1° |
| N2 | O2 | HO2 | 105.5° | 106.8° |
| O1P | P | O2P | 102.3° | 109.5° |
| O1P | P | O3P | 109.0° | 109.5° |
| O1P | P | O4P | 102.6° | 109.5° |
| O2P | P | O3P | 117.4° | 109.5° |
| O2P | P | O4P | 109.2° | 109.4° |
| P | O3P | HOP3 | 109.1° | 106.8° |
| O3P | P | O4P | 114.6° | 109.4° |
| P | O4P | HOP4 | 102.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N2 | O1 | 159.6° | 179.8° |
| C1 | C2 | O1P | H21 | 125.3° | 120.1° |
| C1 | C2 | O1P | H22 | 125.3° | 119.9° |
| C1 | C2 | H21 | H22 | 116.4° | 119.9° |
| C2 | C1 | N2 | O2 | 160.7° | 180.0° |
| C2 | C1 | N2 | HN | 19.4° | 0.1° |
| C1 | C2 | O1P | P | 171.1° | 179.9° |
| N2 | C1 | C2 | O1P | 102.6° | 179.9° |
| N2 | C1 | C2 | H21 | 132.1° | 59.8° |
| N2 | C1 | C2 | H22 | 22.6° | 60.1° |
| C1 | N2 | O2 | HN | 180.0° | 179.9° |
| C1 | N2 | O2 | HO2 | 180.0° | 180.0° |
| O1 | C1 | C2 | O1P | 55.5° | 0.1° |
| O1 | C1 | C2 | H21 | 69.8° | 120.0° |
| O1 | C1 | C2 | H22 | 179.3° | 120.1° |
| O1 | C1 | N2 | O2 | 39.8° | 0.1° |
| O1 | C1 | N2 | HN | 140.2° | 180.0° |
| O1P | C2 | H21 | H22 | 116.3° | 119.9° |
| C2 | O1P | P | O2P | 85.2° | 60.0° |
| C2 | O1P | P | O3P | 39.8° | 180.0° |
| C2 | O1P | P | O4P | 161.6° | 60.0° |
| H21 | C2 | O1P | P | 63.6° | 59.9° |
| H22 | C2 | O1P | P | 45.8° | 60.0° |
| HN | N2 | O2 | HO2 | 0.0° | 0.0° |
| O1P | P | O2P | O3P | 119.2° | 120.0° |
| O1P | P | O2P | O4P | 108.2° | 120.0° |
| O1P | P | O3P | O4P | 114.3° | 120.0° |
| O1P | P | O3P | HOP3 | 180.0° | 180.0° |
| O1P | P | O4P | HOP4 | 180.0° | 60.0° |
| O2P | P | O3P | O4P | 130.1° | 120.0° |
| O2P | P | O3P | HOP3 | 64.4° | 60.0° |
| O2P | P | O4P | HOP4 | 72.0° | 180.0° |
| O3P | P | O4P | HOP4 | 62.0° | 60.0° |
| HOP3 | O3P | P | O4P | 65.8° | 60.0° |
