PA5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | C1 | doub | 1.21Å | 1.24Å | |
| C1 | O1 | sing | 1.34Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.59Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| C2 | HC2 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | HC3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.49Å | |
| C4 | C5 | sing | 1.53Å | 1.44Å | |
| C4 | HC4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.48Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| O5 | P | sing | 1.61Å | 1.64Å | |
| P | O1P | doub | 1.48Å | 1.53Å | |
| P | O2P | sing | 1.61Å | 1.54Å | |
| P | O3P | sing | 1.61Å | 1.55Å | |
| 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) |
| O1A | C1 | O1 | 114.3° | 120.0° |
| O1A | C1 | C2 | 110.0° | 120.0° |
| O1 | C1 | C2 | 112.0° | 120.0° |
| C1 | O1 | HO1 | 114.3° | 120.0° |
| C1 | C2 | O2 | 107.5° | 109.4° |
| C1 | C2 | C3 | 107.6° | 109.5° |
| C1 | C2 | HC2 | 113.5° | 109.5° |
| O2 | C2 | C3 | 113.6° | 109.4° |
| O2 | C2 | HC2 | 107.4° | 109.5° |
| C2 | O2 | HO2 | 107.5° | 106.8° |
| C3 | C2 | HC2 | 107.4° | 109.5° |
| C2 | C3 | O3 | 116.2° | 109.5° |
| C2 | C3 | C4 | 101.7° | 109.5° |
| C2 | C3 | HC3 | 114.0° | 109.5° |
| O3 | C3 | C4 | 118.2° | 109.5° |
| O3 | C3 | HC3 | 95.7° | 109.5° |
| C3 | O3 | HO3 | 116.2° | 106.8° |
| C4 | C3 | HC3 | 111.7° | 109.4° |
| C3 | C4 | O4 | 112.2° | 109.5° |
| C3 | C4 | C5 | 111.1° | 109.5° |
| C3 | C4 | HC4 | 104.8° | 109.4° |
| O4 | C4 | C5 | 103.5° | 109.5° |
| O4 | C4 | HC4 | 112.2° | 109.5° |
| C4 | O4 | HO4 | 112.1° | 106.8° |
| C5 | C4 | HC4 | 113.3° | 109.5° |
| C4 | C5 | O5 | 113.2° | 109.5° |
| C4 | C5 | H51 | 110.8° | 109.5° |
| C4 | C5 | H52 | 110.9° | 109.5° |
| O5 | C5 | H51 | 110.8° | 109.5° |
| O5 | C5 | H52 | 110.8° | 109.4° |
| C5 | O5 | P | 113.4° | 106.8° |
| H51 | C5 | H52 | 99.5° | 109.5° |
| O5 | P | O1P | 112.9° | 109.4° |
| O5 | P | O2P | 108.0° | 109.5° |
| O5 | P | O3P | 112.3° | 109.5° |
| O1P | P | O2P | 110.1° | 109.4° |
| O1P | P | O3P | 106.2° | 109.5° |
| O2P | P | O3P | 107.2° | 109.5° |
| P | O2P | HOP2 | 108.0° | 106.8° |
| P | O3P | HOP3 | 112.3° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1 | C2 | 125.9° | 180.0° |
| O1A | C1 | O1 | HO1 | 180.0° | 0.0° |
| O1A | C1 | C2 | O2 | 125.7° | 0.0° |
| O1A | C1 | C2 | C3 | 111.6° | 120.0° |
| O1A | C1 | C2 | HC2 | 7.0° | 120.0° |
| O1 | C1 | C2 | O2 | 2.6° | 179.9° |
| O1 | C1 | C2 | C3 | 120.2° | 60.0° |
| O1 | C1 | C2 | HC2 | 121.2° | 60.1° |
| C2 | C1 | O1 | HO1 | 54.1° | 180.0° |
| C1 | C2 | O2 | C3 | 118.9° | 120.0° |
| C1 | C2 | O2 | HC2 | 122.4° | 120.0° |
| C1 | C2 | C3 | HC2 | 122.4° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 173.7° | 60.0° |
| C1 | C2 | C3 | C4 | 43.8° | 180.0° |
| C1 | C2 | C3 | HC3 | 76.5° | 60.1° |
| O2 | C2 | C3 | HC2 | 118.6° | 120.0° |
| O2 | C2 | C3 | O3 | 67.4° | 60.0° |
| O2 | C2 | C3 | C4 | 162.7° | 60.0° |
| O2 | C2 | C3 | HC3 | 42.4° | 180.0° |
| C3 | C2 | O2 | HO2 | 61.1° | 60.0° |
| C2 | C3 | O3 | C4 | 121.4° | 120.0° |
| C2 | C3 | O3 | HC3 | 120.3° | 120.0° |
| C2 | C3 | C4 | HC3 | 121.9° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 167.7° | 60.0° |
| C2 | C3 | C4 | C5 | 52.5° | 180.0° |
| C2 | C3 | C4 | HC4 | 70.2° | 60.0° |
| HC2 | C2 | O2 | HO2 | 57.6° | 180.0° |
| HC2 | C2 | C3 | O3 | 51.2° | 180.0° |
| HC2 | C2 | C3 | C4 | 78.6° | 60.0° |
| HC2 | C2 | C3 | HC3 | 161.0° | 60.0° |
| O3 | C3 | C4 | HC3 | 109.5° | 120.0° |
| O3 | C3 | C4 | O4 | 39.2° | 180.0° |
| O3 | C3 | C4 | C5 | 76.1° | 60.0° |
| O3 | C3 | C4 | HC4 | 161.2° | 60.0° |
| C4 | C3 | O3 | HO3 | 58.6° | 60.1° |
| C3 | C4 | O4 | C5 | 119.8° | 120.0° |
| C3 | C4 | O4 | HC4 | 117.7° | 120.0° |
| C3 | C4 | C5 | HC4 | 117.7° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.1° |
| C3 | C4 | C5 | O5 | 179.5° | 180.0° |
| C3 | C4 | C5 | H51 | 54.2° | 60.0° |
| C3 | C4 | C5 | H52 | 55.3° | 60.1° |
| HC3 | C3 | O3 | HO3 | 59.8° | 180.0° |
| HC3 | C3 | C4 | O4 | 70.3° | 60.0° |
| HC3 | C3 | C4 | C5 | 174.4° | 60.0° |
| HC3 | C3 | C4 | HC4 | 51.7° | 180.0° |
| O4 | C4 | C5 | HC4 | 121.8° | 120.0° |
| O4 | C4 | C5 | O5 | 60.0° | 60.0° |
| O4 | C4 | C5 | H51 | 174.8° | 180.0° |
| O4 | C4 | C5 | H52 | 65.2° | 60.0° |
| C5 | C4 | O4 | HO4 | 60.2° | 60.0° |
| C4 | C5 | O5 | H51 | 125.2° | 120.0° |
| C4 | C5 | O5 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 116.7° | 120.0° |
| C4 | C5 | O5 | P | 157.5° | 180.0° |
| HC4 | C4 | O4 | HO4 | 62.3° | 180.0° |
| HC4 | C4 | C5 | O5 | 61.8° | 60.0° |
| HC4 | C4 | C5 | H51 | 63.4° | 60.0° |
| HC4 | C4 | C5 | H52 | 173.0° | 180.0° |
| O5 | C5 | H51 | H52 | 116.7° | 120.0° |
| C5 | O5 | P | O1P | 162.9° | 60.0° |
| C5 | O5 | P | O2P | 75.2° | 180.0° |
| C5 | O5 | P | O3P | 42.7° | 60.0° |
| H51 | C5 | O5 | P | 32.2° | 60.0° |
| H52 | C5 | O5 | P | 77.3° | 60.0° |
| O5 | P | O1P | O2P | 120.7° | 120.0° |
| O5 | P | O1P | O3P | 123.6° | 120.0° |
| O5 | P | O2P | O3P | 121.2° | 120.0° |
| O5 | P | O2P | HOP2 | 179.9° | 180.0° |
| O5 | P | O3P | HOP3 | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 115.1° | 120.0° |
| O1P | P | O2P | HOP2 | 56.3° | 60.1° |
| O1P | P | O3P | HOP3 | 56.0° | 180.0° |
| O2P | P | O3P | HOP3 | 61.6° | 60.0° |
| O3P | P | O2P | HOP2 | 58.8° | 60.0° |
