3PB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | C1 | sing | 1.51Å | 1.55Å | |
| C1 | O1 | sing | 1.34Å | 1.26Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O1P | C3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| P | O1P | sing | 1.61Å | 1.63Å | |
| O2P | P | doub | 1.48Å | 1.52Å | |
| O3P | P | sing | 1.61Å | 1.51Å | |
| P | O4P | sing | 1.61Å | 1.52Å | |
| O4P | HO4P | sing | 0.97Å | 0.95Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C2 | 117.8° | 120.0° |
| O2 | C1 | O1 | 122.2° | 120.0° |
| C2 | C1 | O1 | 120.0° | 120.0° |
| C1 | C2 | C3 | 113.5° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.5° |
| C1 | C2 | H2A | 107.2° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C3 | C2 | H2A | 107.2° | 109.5° |
| C2 | C3 | O1P | 107.5° | 109.5° |
| C2 | C3 | C4 | 113.1° | 109.5° |
| C2 | C3 | H3 | 108.0° | 109.5° |
| H2 | C2 | H2A | 112.7° | 109.4° |
| O1P | C3 | C4 | 108.4° | 109.5° |
| O1P | C3 | H3 | 112.8° | 109.4° |
| C3 | O1P | P | 121.1° | 123.0° |
| C4 | C3 | H3 | 107.1° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.4° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| O1P | P | O2P | 101.9° | 109.5° |
| O1P | P | O3P | 106.2° | 109.4° |
| O1P | P | O4P | 104.2° | 109.4° |
| O2P | P | O3P | 112.0° | 109.5° |
| O2P | P | O4P | 117.3° | 109.5° |
| O3P | P | O4P | 113.6° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| P | O4P | HO4P | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | O1 | 178.4° | 179.8° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.0° |
| O2 | C1 | C2 | C3 | 82.8° | 6.5° |
| O2 | C1 | C2 | H2 | 157.2° | 113.5° |
| O2 | C1 | C2 | H2A | 35.4° | 126.5° |
| C2 | C1 | O1 | HO1 | 178.4° | 179.7° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 118.2° | 120.0° |
| C1 | C2 | H2 | H2A | 118.3° | 119.9° |
| C1 | C2 | C3 | O1P | 175.5° | 65.8° |
| C1 | C2 | C3 | C4 | 55.8° | 174.2° |
| C1 | C2 | C3 | H3 | 62.5° | 54.1° |
| O1 | C1 | C2 | C3 | 95.6° | 173.3° |
| O1 | C1 | C2 | H2 | 24.4° | 66.7° |
| O1 | C1 | C2 | H2A | 146.2° | 53.3° |
| C3 | C2 | H2 | H2A | 118.4° | 120.0° |
| C2 | C3 | O1P | C4 | 122.7° | 120.1° |
| C2 | C3 | O1P | H3 | 118.9° | 120.0° |
| C2 | C3 | C4 | H3 | 118.9° | 120.1° |
| C2 | C3 | C4 | H4 | 113.7° | 60.0° |
| C2 | C3 | C4 | H4A | 126.3° | 180.0° |
| C2 | C3 | C4 | H4B | 6.3° | 60.0° |
| C2 | C3 | O1P | P | 142.2° | 132.9° |
| H2 | C2 | C3 | O1P | 55.5° | 174.2° |
| H2 | C2 | C3 | C4 | 64.2° | 54.2° |
| H2 | C2 | C3 | H3 | 177.5° | 65.9° |
| H2A | C2 | C3 | O1P | 66.3° | 54.2° |
| H2A | C2 | C3 | C4 | 174.0° | 65.8° |
| H2A | C2 | C3 | H3 | 55.7° | 174.1° |
| O1P | C3 | C4 | H3 | 121.9° | 119.9° |
| O1P | C3 | C4 | H4 | 5.5° | 60.1° |
| O1P | C3 | C4 | H4A | 114.5° | 60.0° |
| O1P | C3 | C4 | H4B | 125.5° | 180.0° |
| C3 | O1P | P | O2P | 177.7° | 54.2° |
| C3 | O1P | P | O3P | 60.3° | 174.2° |
| C3 | O1P | P | O4P | 59.9° | 65.9° |
| C3 | C4 | H4 | H4A | 120.0° | 120.1° |
| C3 | C4 | H4 | H4B | 120.0° | 119.9° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | O1P | P | 95.1° | 107.1° |
| H3 | C3 | C4 | H4 | 127.4° | 180.0° |
| H3 | C3 | C4 | H4A | 7.4° | 60.0° |
| H3 | C3 | C4 | H4B | 112.6° | 60.1° |
| H3 | C3 | O1P | P | 23.3° | 12.9° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| O1P | P | O2P | O3P | 113.1° | 120.0° |
| O1P | P | O2P | O4P | 112.9° | 120.0° |
| O1P | P | O3P | O4P | 113.9° | 119.9° |
| O1P | P | O4P | HO4P | 11.9° | 57.5° |
| O1P | P | O3P | HO3P | 44.3° | 180.0° |
| O2P | P | O3P | O4P | 135.7° | 120.1° |
| O2P | P | O4P | HO4P | 123.6° | 177.5° |
| O2P | P | O3P | HO3P | 154.7° | 60.0° |
| O3P | P | O4P | HO4P | 103.2° | 62.4° |
| O4P | P | O3P | HO3P | 69.6° | 60.0° |






