PGH
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 | 1.31Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | O1P | sing | 1.43Å | 1.40Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| 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 | 1.75Å | |
| O2P | P | doub | 1.48Å | 1.69Å | |
| O3P | P | sing | 1.61Å | 1.66Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O4P | P | sing | 1.61Å | 1.63Å | |
| O4P | HOP4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N2 | 112.1° | 120.1° |
| C2 | C1 | O1 | 116.8° | 120.0° |
| C1 | C2 | O1P | 109.3° | 109.5° |
| C1 | C2 | H21 | 112.2° | 109.5° |
| C1 | C2 | H22 | 112.3° | 109.4° |
| N2 | C1 | O1 | 131.1° | 119.9° |
| C1 | N2 | O2 | 119.3° | 120.0° |
| C1 | N2 | HN | 118.2° | 119.9° |
| O1P | C2 | H21 | 112.3° | 109.5° |
| O1P | C2 | H22 | 112.3° | 109.4° |
| C2 | O1P | P | 114.7° | 106.8° |
| H21 | C2 | H22 | 98.1° | 109.4° |
| O2 | N2 | HN | 122.5° | 120.1° |
| N2 | O2 | HO2 | 119.3° | 106.8° |
| O1P | P | O2P | 100.3° | 109.5° |
| O1P | P | O3P | 116.0° | 109.5° |
| O1P | P | O4P | 105.0° | 109.5° |
| O2P | P | O3P | 114.9° | 109.5° |
| O2P | P | O4P | 99.8° | 109.4° |
| P | O3P | HOP3 | 116.1° | 106.8° |
| O3P | P | O4P | 118.1° | 109.4° |
| P | O4P | HOP4 | 105.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N2 | O1 | 179.0° | 179.8° |
| C1 | C2 | O1P | H21 | 125.2° | 120.1° |
| C1 | C2 | O1P | H22 | 125.2° | 119.9° |
| C1 | C2 | H21 | H22 | 118.1° | 119.9° |
| C2 | C1 | N2 | O2 | 177.0° | 180.0° |
| C2 | C1 | N2 | HN | 3.0° | 0.1° |
| C1 | C2 | O1P | P | 174.8° | 179.9° |
| N2 | C1 | C2 | O1P | 145.6° | 179.9° |
| N2 | C1 | C2 | H21 | 89.1° | 59.8° |
| N2 | C1 | C2 | H22 | 20.4° | 60.1° |
| C1 | N2 | O2 | HN | 180.0° | 179.9° |
| C1 | N2 | O2 | HO2 | 180.0° | 180.0° |
| O1 | C1 | C2 | O1P | 33.5° | 0.1° |
| O1 | C1 | C2 | H21 | 91.8° | 120.0° |
| O1 | C1 | C2 | H22 | 158.8° | 120.1° |
| O1 | C1 | N2 | O2 | 4.0° | 0.1° |
| O1 | C1 | N2 | HN | 176.0° | 180.0° |
| O1P | C2 | H21 | H22 | 118.3° | 119.9° |
| C2 | O1P | P | O2P | 87.9° | 60.0° |
| C2 | O1P | P | O3P | 36.6° | 180.0° |
| C2 | O1P | P | O4P | 168.9° | 60.0° |
| H21 | C2 | O1P | P | 60.0° | 59.9° |
| H22 | C2 | O1P | P | 49.5° | 60.0° |
| HN | N2 | O2 | HO2 | 0.0° | 0.0° |
| O1P | P | O2P | O3P | 125.2° | 120.0° |
| O1P | P | O2P | O4P | 107.4° | 120.0° |
| O1P | P | O3P | O4P | 126.0° | 120.0° |
| O1P | P | O3P | HOP3 | 180.0° | 180.0° |
| O1P | P | O4P | HOP4 | 180.0° | 60.0° |
| O2P | P | O3P | O4P | 117.5° | 120.0° |
| O2P | P | O3P | HOP3 | 63.4° | 60.0° |
| O2P | P | O4P | HOP4 | 76.4° | 180.0° |
| O3P | P | O4P | HOP4 | 48.8° | 60.0° |
| HOP3 | O3P | P | O4P | 54.0° | 60.0° |
