OXP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.46Å | 1.52Å | |
| C2 | O3 | doub | 1.21Å | 1.24Å | |
| C2 | C1 | sing | 1.49Å | 1.46Å | |
| C3 | C4 | doub | 1.34Å | 1.36Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C1 | O2 | sing | 1.34Å | 1.34Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | O3 | 124.0° | 120.1° |
| C3 | C2 | C1 | 117.0° | 120.0° |
| C2 | C3 | C4 | 127.2° | 120.0° |
| C2 | C3 | H3 | 122.8° | 120.0° |
| O3 | C2 | C1 | 118.9° | 119.9° |
| C2 | C1 | O1 | 117.5° | 120.0° |
| C2 | C1 | O2 | 122.2° | 120.1° |
| C4 | C3 | H3 | 110.0° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C3 | C4 | H4 | 114.7° | 120.0° |
| C4 | C5 | H51 | 120.5° | 109.5° |
| C4 | C5 | H52 | 108.3° | 109.5° |
| C4 | C5 | H53 | 108.3° | 109.5° |
| C5 | C4 | H4 | 124.8° | 120.0° |
| H51 | C5 | H52 | 108.2° | 109.5° |
| H51 | C5 | H53 | 108.2° | 109.5° |
| H52 | C5 | H53 | 101.7° | 109.4° |
| O1 | C1 | O2 | 120.2° | 119.9° |
| C1 | O2 | HO2 | 122.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | O3 | C1 | 176.7° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.7° | 0.0° |
| C3 | C2 | C1 | O1 | 44.8° | 0.0° |
| C3 | C2 | C1 | O2 | 136.7° | 180.0° |
| C2 | C3 | C4 | H4 | 177.3° | 180.0° |
| O3 | C2 | C3 | C4 | 8.0° | 0.0° |
| O3 | C2 | C3 | H3 | 172.0° | 180.0° |
| O3 | C2 | C1 | O1 | 138.3° | 180.0° |
| O3 | C2 | C1 | O2 | 40.2° | 0.0° |
| C1 | C2 | C3 | C4 | 175.3° | 180.0° |
| C1 | C2 | C3 | H3 | 4.7° | 0.0° |
| C2 | C1 | O1 | O2 | 178.5° | 180.0° |
| C2 | C1 | O2 | HO2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H51 | 180.0° | 180.0° |
| C3 | C4 | C5 | H52 | 54.8° | 60.0° |
| C3 | C4 | C5 | H53 | 54.7° | 60.0° |
| H3 | C3 | C4 | C5 | 177.3° | 180.0° |
| H3 | C3 | C4 | H4 | 2.7° | 0.0° |
| C4 | C5 | H51 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H53 | 125.3° | 120.0° |
| C4 | C5 | H52 | H53 | 113.9° | 120.0° |
| H51 | C5 | H52 | H53 | 113.8° | 120.0° |
| H51 | C5 | C4 | H4 | 0.0° | 0.0° |
| H52 | C5 | C4 | H4 | 125.2° | 120.0° |
| H53 | C5 | C4 | H4 | 125.3° | 120.0° |
| O1 | C1 | O2 | HO2 | 1.5° | 0.0° |
