129
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.54Å | |
| P | O2P | sing | 1.61Å | 1.54Å | |
| P | O3P | sing | 1.61Å | 1.54Å | |
| P | C4 | sing | 1.82Å | 1.80Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C3 | N2 | sing | 1.47Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| N2 | C1 | sing | 1.35Å | 1.31Å | |
| N2 | O2 | sing | 1.42Å | 1.40Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 109.1° | 109.4° |
| O1P | P | O3P | 109.7° | 109.5° |
| O1P | P | C4 | 109.7° | 109.5° |
| O2P | P | O3P | 113.5° | 109.4° |
| O2P | P | C4 | 107.5° | 109.4° |
| P | O2P | HOP2 | 109.1° | 106.8° |
| O3P | P | C4 | 107.2° | 109.5° |
| P | O3P | HOP3 | 109.7° | 106.8° |
| P | C4 | C3 | 111.3° | 109.4° |
| P | C4 | H41 | 111.5° | 109.5° |
| P | C4 | H42 | 111.5° | 109.5° |
| C3 | C4 | H41 | 111.6° | 109.5° |
| C3 | C4 | H42 | 111.5° | 109.5° |
| C4 | C3 | N2 | 104.7° | 109.4° |
| C4 | C3 | H31 | 114.0° | 109.4° |
| C4 | C3 | H32 | 114.0° | 109.5° |
| H41 | C4 | H42 | 98.8° | 109.4° |
| N2 | C3 | H31 | 114.0° | 109.5° |
| N2 | C3 | H32 | 114.0° | 109.5° |
| C3 | N2 | C1 | 127.2° | 120.0° |
| C3 | N2 | O2 | 115.9° | 120.0° |
| H31 | C3 | H32 | 96.5° | 109.5° |
| C1 | N2 | O2 | 114.1° | 120.0° |
| N2 | C1 | O1 | 120.6° | 120.0° |
| N2 | C1 | H1 | 123.6° | 119.9° |
| N2 | O2 | HO2 | 115.9° | 106.8° |
| O1 | C1 | H1 | 115.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 122.7° | 120.0° |
| O1P | P | O2P | C4 | 118.9° | 120.0° |
| O1P | P | O3P | C4 | 119.1° | 120.1° |
| O1P | P | O2P | HOP2 | 180.0° | 60.0° |
| O1P | P | O3P | HOP3 | 179.9° | 179.9° |
| O1P | P | C4 | C3 | 154.3° | 60.0° |
| O1P | P | C4 | H41 | 80.3° | 59.9° |
| O1P | P | C4 | H42 | 29.1° | 179.9° |
| O2P | P | O3P | C4 | 118.6° | 120.0° |
| O2P | P | O3P | HOP3 | 57.7° | 60.0° |
| O2P | P | C4 | C3 | 87.1° | 180.0° |
| O2P | P | C4 | H41 | 38.2° | 60.0° |
| O2P | P | C4 | H42 | 147.6° | 60.0° |
| O3P | P | O2P | HOP2 | 57.3° | 60.0° |
| O3P | P | C4 | C3 | 35.3° | 60.1° |
| O3P | P | C4 | H41 | 160.6° | 180.0° |
| O3P | P | C4 | H42 | 90.0° | 60.0° |
| C4 | P | O2P | HOP2 | 61.1° | 180.0° |
| C4 | P | O3P | HOP3 | 60.9° | 60.0° |
| P | C4 | C3 | H41 | 125.3° | 119.9° |
| P | C4 | C3 | H42 | 125.3° | 120.1° |
| P | C4 | H41 | H42 | 117.4° | 120.0° |
| P | C4 | C3 | N2 | 167.4° | 180.0° |
| P | C4 | C3 | H31 | 42.2° | 60.0° |
| P | C4 | C3 | H32 | 67.3° | 60.0° |
| C3 | C4 | H41 | H42 | 117.4° | 120.1° |
| C4 | C3 | N2 | H31 | 125.2° | 119.9° |
| C4 | C3 | N2 | H32 | 125.3° | 120.1° |
| C4 | C3 | H31 | H32 | 120.0° | 120.0° |
| C4 | C3 | N2 | C1 | 120.5° | 90.1° |
| C4 | C3 | N2 | O2 | 39.2° | 90.0° |
| H41 | C4 | C3 | N2 | 67.3° | 60.1° |
| H41 | C4 | C3 | H31 | 167.5° | 180.0° |
| H41 | C4 | C3 | H32 | 58.0° | 60.0° |
| H42 | C4 | C3 | N2 | 42.1° | 59.9° |
| H42 | C4 | C3 | H31 | 83.1° | 60.0° |
| H42 | C4 | C3 | H32 | 167.4° | 180.0° |
| N2 | C3 | H31 | H32 | 119.9° | 120.1° |
| C3 | N2 | C1 | O2 | 160.0° | 179.9° |
| C3 | N2 | C1 | O1 | 160.4° | 179.9° |
| C3 | N2 | C1 | H1 | 19.6° | 0.0° |
| C3 | N2 | O2 | HO2 | 180.0° | 180.0° |
| H31 | C3 | N2 | C1 | 4.7° | 150.0° |
| H31 | C3 | N2 | O2 | 164.4° | 29.9° |
| H32 | C3 | N2 | C1 | 114.2° | 30.0° |
| H32 | C3 | N2 | O2 | 86.1° | 149.9° |
| N2 | C1 | O1 | H1 | 179.9° | 180.0° |
| C1 | N2 | O2 | HO2 | 17.6° | 0.0° |
| O2 | N2 | C1 | O1 | 0.3° | 0.0° |
| O2 | N2 | C1 | H1 | 179.6° | 179.9° |
