7PR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O5 | doub | 1.21Å | 1.19Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C1 | O | sing | 1.34Å | 1.33Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | O1 | sing | 1.34Å | 1.36Å | |
| C2 | O2 | doub | 1.21Å | 1.19Å | |
| O3 | C4 | sing | 1.34Å | 1.34Å | |
| C4 | O4 | doub | 1.21Å | 1.20Å | |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| O3 | PR | sing | 2.29Å | 2.44Å | |
| PR | O1 | sing | 2.29Å | 2.45Å | |
| PR | O | sing | 2.29Å | 2.47Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | C | 126.0° | 120.0° |
| O5 | C1 | O | 119.3° | 120.0° |
| C | C1 | O | 114.7° | 120.0° |
| C1 | C | H4 | 109.5° | 109.4° |
| C1 | C | H5 | 109.5° | 109.4° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | O | PR | 132.9° | 117.0° |
| C3 | C2 | O1 | 117.4° | 120.0° |
| C3 | C2 | O2 | 125.9° | 120.0° |
| C2 | C3 | H1 | 109.5° | 109.5° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.4° | 109.5° |
| O1 | C2 | O2 | 116.7° | 120.0° |
| C2 | O1 | PR | 132.3° | 117.0° |
| O3 | C4 | O4 | 119.7° | 120.0° |
| O3 | C4 | C5 | 114.1° | 120.0° |
| C4 | O3 | PR | 142.1° | 117.0° |
| O4 | C4 | C5 | 126.1° | 120.0° |
| C4 | C5 | H7 | 109.5° | 109.4° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| O3 | PR | O1 | 110.7° | 120.0° |
| O3 | PR | O | 105.4° | 120.0° |
| O1 | PR | O | 112.3° | 120.0° |
| H1 | C3 | H2 | 109.5° | 109.4° |
| H1 | C3 | H3 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C | O | 179.2° | 179.8° |
| O5 | C1 | O | PR | 178.4° | 5.1° |
| O5 | C1 | C | H4 | 0.0° | 0.1° |
| O5 | C1 | C | H5 | 120.0° | 120.0° |
| O5 | C1 | C | H6 | 120.0° | 120.0° |
| C | C1 | O | PR | 0.8° | 174.7° |
| C1 | C | H4 | H5 | 120.0° | 119.9° |
| C1 | C | H4 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C1 | O | PR | O3 | 14.1° | 85.0° |
| C1 | O | PR | O1 | 134.8° | 95.0° |
| O | C1 | C | H4 | 179.2° | 179.7° |
| O | C1 | C | H5 | 60.8° | 59.8° |
| O | C1 | C | H6 | 59.2° | 60.2° |
| C3 | C2 | O1 | O2 | 178.9° | 179.9° |
| C3 | C2 | O1 | PR | 42.0° | 180.0° |
| C2 | C3 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | H1 | H3 | 120.0° | 120.1° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C2 | O1 | PR | O3 | 128.3° | 180.0° |
| C2 | O1 | PR | O | 114.2° | 0.1° |
| O1 | C2 | C3 | H1 | 178.7° | 90.0° |
| O1 | C2 | C3 | H2 | 58.7° | 150.1° |
| O1 | C2 | C3 | H3 | 61.3° | 30.0° |
| O2 | C2 | O1 | PR | 136.8° | 0.1° |
| O2 | C2 | C3 | H1 | 0.0° | 89.9° |
| O2 | C2 | C3 | H2 | 120.0° | 30.0° |
| O2 | C2 | C3 | H3 | 120.0° | 150.0° |
| O3 | C4 | O4 | C5 | 177.6° | 179.9° |
| C4 | O3 | PR | O1 | 128.5° | 175.0° |
| C4 | O3 | PR | O | 6.8° | 4.9° |
| O3 | C4 | C5 | H7 | 177.7° | 0.0° |
| O3 | C4 | C5 | H8 | 57.7° | 120.1° |
| O3 | C4 | C5 | H9 | 62.2° | 120.0° |
| O4 | C4 | O3 | PR | 122.4° | 5.0° |
| O4 | C4 | C5 | H7 | 0.0° | 180.0° |
| O4 | C4 | C5 | H8 | 120.0° | 60.0° |
| O4 | C4 | C5 | H9 | 120.0° | 60.0° |
| C5 | C4 | O3 | PR | 55.5° | 174.9° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H9 | 120.0° | 120.0° |
| C4 | C5 | H8 | H9 | 120.0° | 120.0° |
| O3 | PR | O1 | O | 117.5° | 180.0° |
| H1 | C3 | H2 | H3 | 120.0° | 120.0° |
| H4 | C | H5 | H6 | 120.0° | 120.1° |
| H7 | C5 | H8 | H9 | 120.0° | 120.0° |
