PPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1G | PG | sing | 1.61Å | 1.48Å | |
| O1G | H1G | sing | 0.97Å | 0.95Å | |
| PG | O2G | sing | 1.61Å | 1.44Å | |
| PG | O3G | doub | 1.48Å | 1.51Å | |
| PG | N3B | sing | 1.68Å | 1.65Å | |
| O2G | H2G | sing | 0.97Å | 0.95Å | |
| N3B | PB | sing | 1.68Å | 1.54Å | |
| N3B | H3B | sing | 1.01Å | 1.02Å | |
| PB | O1B | sing | 1.61Å | 1.49Å | |
| PB | O2B | doub | 1.48Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.61Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| PA | O1A | sing | 1.61Å | 1.56Å | |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| PA | O4A | doub | 1.48Å | 1.54Å | |
| O1A | H1A | sing | 0.97Å | 0.95Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PG | O1G | H1G | 107.1° | 106.8° |
| O1G | PG | O2G | 107.2° | 109.4° |
| O1G | PG | O3G | 111.4° | 109.5° |
| O1G | PG | N3B | 113.1° | 109.5° |
| O2G | PG | O3G | 115.1° | 109.5° |
| O2G | PG | N3B | 117.1° | 109.5° |
| PG | O2G | H2G | 107.2° | 106.9° |
| O3G | PG | N3B | 92.4° | 109.5° |
| PG | N3B | PB | 134.9° | 106.7° |
| PG | N3B | H3B | 103.5° | 106.7° |
| PB | N3B | H3B | 103.5° | 106.7° |
| N3B | PB | O1B | 109.0° | 109.5° |
| N3B | PB | O2B | 105.6° | 109.5° |
| N3B | PB | O3A | 112.1° | 109.4° |
| O1B | PB | O2B | 118.3° | 109.5° |
| O1B | PB | O3A | 111.8° | 109.5° |
| PB | O1B | H1B | 109.1° | 106.9° |
| O2B | PB | O3A | 99.7° | 109.4° |
| PB | O3A | PA | 124.8° | 106.8° |
| O3A | PA | O1A | 110.7° | 109.5° |
| O3A | PA | O2A | 111.1° | 109.5° |
| O3A | PA | O4A | 109.0° | 109.4° |
| O1A | PA | O2A | 107.0° | 109.4° |
| O1A | PA | O4A | 107.2° | 109.5° |
| PA | O1A | H1A | 110.7° | 106.8° |
| O2A | PA | O4A | 111.7° | 109.5° |
| PA | O2A | H2A | 111.1° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 124.6° | 120.0° |
| O1G | PG | O2G | N3B | 128.4° | 120.0° |
| O1G | PG | O3G | N3B | 116.1° | 120.0° |
| O1G | PG | O2G | H2G | 180.0° | 60.0° |
| O1G | PG | N3B | PB | 99.0° | 180.0° |
| O1G | PG | N3B | H3B | 135.7° | 66.3° |
| H1G | O1G | PG | O2G | 180.0° | 60.0° |
| H1G | O1G | PG | O3G | 53.2° | 60.0° |
| H1G | O1G | PG | N3B | 49.4° | 180.0° |
| O2G | PG | O3G | N3B | 121.6° | 120.0° |
| O2G | PG | N3B | PB | 26.4° | 60.0° |
| O2G | PG | N3B | H3B | 98.9° | 173.8° |
| O3G | PG | O2G | H2G | 55.4° | 179.9° |
| O3G | PG | N3B | PB | 146.4° | 60.0° |
| O3G | PG | N3B | H3B | 21.1° | 53.7° |
| N3B | PG | O2G | H2G | 51.6° | 60.0° |
| PG | N3B | PB | H3B | 125.3° | 113.7° |
| PG | N3B | PB | O1B | 174.1° | 60.1° |
| PG | N3B | PB | O2B | 46.0° | 60.1° |
| PG | N3B | PB | O3A | 61.6° | 180.0° |
| N3B | PB | O1B | O2B | 120.6° | 120.1° |
| N3B | PB | O1B | O3A | 124.5° | 120.0° |
| N3B | PB | O2B | O3A | 116.4° | 119.9° |
| N3B | PB | O1B | H1B | 180.0° | 59.9° |
| N3B | PB | O3A | PA | 59.4° | 180.0° |
| H3B | N3B | PB | O1B | 48.9° | 173.8° |
| H3B | N3B | PB | O2B | 79.3° | 53.7° |
| H3B | N3B | PB | O3A | 173.2° | 66.2° |
| O1B | PB | O2B | O3A | 121.3° | 120.0° |
| O1B | PB | O3A | PA | 177.8° | 60.0° |
| O2B | PB | O1B | H1B | 59.4° | 180.0° |
| O2B | PB | O3A | PA | 51.9° | 60.0° |
| O3A | PB | O1B | H1B | 55.5° | 60.0° |
| PB | O3A | PA | O1A | 86.6° | 180.0° |
| PB | O3A | PA | O2A | 32.2° | 60.0° |
| PB | O3A | PA | O4A | 155.7° | 60.0° |
| O3A | PA | O1A | O2A | 121.2° | 120.0° |
| O3A | PA | O1A | O4A | 118.8° | 120.0° |
| O3A | PA | O2A | O4A | 122.0° | 120.0° |
| O3A | PA | O1A | H1A | 180.0° | 179.9° |
| O3A | PA | O2A | H2A | 180.0° | 60.0° |
| O1A | PA | O2A | O4A | 117.1° | 120.0° |
| O1A | PA | O2A | H2A | 59.1° | 60.0° |
| O2A | PA | O1A | H1A | 58.8° | 60.1° |
| O4A | PA | O1A | H1A | 61.2° | 60.0° |
| O4A | PA | O2A | H2A | 58.0° | 180.0° |
