7PA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P2 | doub | 1.49Å | 1.55Å | |
| O2 | P2 | sing | 1.61Å | 1.53Å | |
| O2 | HO2 | sing | 0.98Å | 0.95Å | |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C1 | P1 | sing | 1.81Å | 1.85Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| C2 | C3 | sing | 1.52Å | 1.54Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| P1 | O3 | doub | 1.49Å | 1.55Å | |
| P1 | O4 | sing | 1.61Å | 1.53Å | |
| P1 | O6 | sing | 1.61Å | 1.51Å | |
| C3 | P2 | sing | 1.81Å | 1.86Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| P2 | O5 | sing | 1.61Å | 1.52Å | |
| O4 | HO4 | sing | 0.98Å | 0.95Å | |
| O5 | HO5 | sing | 0.98Å | 0.95Å | |
| O6 | HO6 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P2 | O2 | 111.1° | 116.2° |
| O1 | P2 | C3 | 101.8° | 113.6° |
| O1 | P2 | O5 | 111.8° | 116.2° |
| P2 | O2 | HO2 | 109.5° | 118.1° |
| O2 | P2 | C3 | 108.2° | 102.5° |
| O2 | P2 | O5 | 113.1° | 104.0° |
| C2 | C1 | P1 | 132.4° | 113.8° |
| C2 | C1 | H11 | 102.4° | 111.0° |
| C2 | C1 | H12 | 97.1° | 109.0° |
| C1 | C2 | C3 | 113.8° | 113.3° |
| C1 | C2 | H21 | 108.1° | 108.9° |
| C1 | C2 | H22 | 107.1° | 109.1° |
| P1 | C1 | H11 | 102.4° | 108.6° |
| P1 | C1 | H12 | 97.1° | 107.2° |
| C1 | P1 | O3 | 100.9° | 113.7° |
| C1 | P1 | O4 | 109.0° | 102.5° |
| C1 | P1 | O6 | 110.5° | 102.5° |
| H11 | C1 | H12 | 129.9° | 107.0° |
| C3 | C2 | H21 | 108.1° | 109.1° |
| C3 | C2 | H22 | 107.1° | 108.8° |
| C2 | C3 | P2 | 132.0° | 113.8° |
| C2 | C3 | H31 | 102.5° | 109.0° |
| C2 | C3 | H32 | 97.3° | 110.9° |
| H21 | C2 | H22 | 112.9° | 107.5° |
| O3 | P1 | O4 | 110.1° | 116.2° |
| O3 | P1 | O6 | 113.1° | 116.2° |
| O4 | P1 | O6 | 112.6° | 104.0° |
| P1 | O4 | HO4 | 109.5° | 118.1° |
| P1 | O6 | HO6 | 109.5° | 118.1° |
| P2 | C3 | H31 | 102.5° | 107.2° |
| P2 | C3 | H32 | 97.3° | 108.5° |
| C3 | P2 | O5 | 110.3° | 102.5° |
| H31 | C3 | H32 | 129.5° | 107.1° |
| P2 | O5 | HO5 | 109.5° | 118.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P2 | O2 | C3 | 110.9° | 124.5° |
| O1 | P2 | O2 | O5 | 126.6° | 129.0° |
| O1 | P2 | O2 | HO2 | 52.1° | 53.3° |
| O1 | P2 | C3 | C2 | 41.8° | 60.1° |
| O1 | P2 | C3 | O5 | 118.7° | 126.2° |
| O1 | P2 | C3 | H31 | 161.8° | 60.6° |
| O1 | P2 | C3 | H32 | 65.0° | 175.9° |
| O1 | P2 | O5 | HO5 | 51.1° | 53.1° |
| O2 | P2 | C3 | C2 | 158.9° | 173.8° |
| O2 | P2 | C3 | O5 | 124.1° | 107.6° |
| O2 | P2 | C3 | H31 | 81.1° | 65.6° |
| O2 | P2 | C3 | H32 | 52.2° | 49.8° |
| O2 | P2 | O5 | HO5 | 75.2° | 75.9° |
| HO2 | O2 | P2 | C3 | 58.9° | 177.8° |
| HO2 | O2 | P2 | O5 | 178.7° | 75.7° |
| C2 | C1 | P1 | H11 | 120.0° | 124.1° |
| C2 | C1 | P1 | H12 | 106.4° | 120.6° |
| C2 | C1 | H11 | H12 | 110.4° | 118.8° |
| C1 | C2 | C3 | H21 | 120.0° | 121.5° |
| C1 | C2 | C3 | H22 | 118.1° | 121.5° |
| C1 | C2 | H21 | H22 | 118.2° | 118.1° |
| C2 | C1 | P1 | O3 | 41.8° | 60.0° |
| C2 | C1 | P1 | O4 | 157.7° | 173.8° |
| C2 | C1 | P1 | O6 | 78.1° | 66.2° |
| C1 | C2 | C3 | P2 | 131.1° | 179.6° |
| C1 | C2 | C3 | H31 | 108.9° | 60.0° |
| C1 | C2 | C3 | H32 | 24.4° | 57.7° |
| P1 | C1 | H11 | H12 | 110.4° | 115.4° |
| P1 | C1 | C2 | C3 | 139.4° | 177.3° |
| P1 | C1 | C2 | H21 | 100.6° | 55.7° |
| P1 | C1 | C2 | H22 | 21.3° | 61.4° |
| C1 | P1 | O3 | O4 | 115.0° | 118.6° |
| C1 | P1 | O3 | O6 | 118.1° | 118.6° |
| C1 | P1 | O4 | O6 | 123.0° | 106.4° |
| C1 | P1 | O4 | HO4 | 122.7° | 177.8° |
| C1 | P1 | O6 | HO6 | 65.6° | 177.7° |
| H11 | C1 | C2 | C3 | 100.6° | 59.9° |
| H11 | C1 | C2 | H21 | 19.4° | 178.5° |
| H11 | C1 | C2 | H22 | 141.3° | 61.4° |
| H11 | C1 | P1 | O3 | 161.8° | 175.9° |
| H11 | C1 | P1 | O4 | 82.3° | 49.7° |
| H11 | C1 | P1 | O6 | 41.8° | 57.9° |
| H12 | C1 | C2 | C3 | 33.0° | 57.7° |
| H12 | C1 | C2 | H21 | 153.0° | 63.9° |
| H12 | C1 | C2 | H22 | 85.1° | 179.0° |
| H12 | C1 | P1 | O3 | 64.6° | 60.6° |
| H12 | C1 | P1 | O4 | 51.3° | 65.6° |
| H12 | C1 | P1 | O6 | 175.4° | 173.2° |
| C3 | C2 | H21 | H22 | 118.2° | 117.8° |
| C2 | C3 | P2 | H31 | 120.0° | 120.7° |
| C2 | C3 | P2 | H32 | 106.8° | 124.0° |
| C2 | C3 | H31 | H32 | 110.6° | 120.0° |
| C2 | C3 | P2 | O5 | 76.9° | 66.1° |
| H21 | C2 | C3 | P2 | 11.1° | 58.9° |
| H21 | C2 | C3 | H31 | 131.1° | 178.6° |
| H21 | C2 | C3 | H32 | 95.7° | 63.8° |
| H22 | C2 | C3 | P2 | 110.8° | 58.1° |
| H22 | C2 | C3 | H31 | 9.2° | 61.5° |
| H22 | C2 | C3 | H32 | 142.5° | 179.2° |
| O3 | P1 | O4 | O6 | 127.2° | 129.0° |
| O3 | P1 | O4 | HO4 | 127.4° | 53.2° |
| O3 | P1 | O6 | HO6 | 46.7° | 53.1° |
| O4 | P1 | O6 | HO6 | 172.3° | 75.9° |
| O6 | P1 | O4 | HO4 | 0.2° | 75.8° |
| P2 | C3 | H31 | H32 | 110.6° | 116.3° |
| C3 | P2 | O5 | HO5 | 163.5° | 177.7° |
| H31 | C3 | P2 | O5 | 43.0° | 173.2° |
| H32 | C3 | P2 | O5 | 176.3° | 57.9° |
