6OA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C5 | sing | 1.43Å | 1.25Å | |
| C5 | C4 | sing | 1.51Å | 1.44Å | |
| C4 | C3 | doub | 1.33Å | 1.33Å | |
| C3 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | doub | 1.35Å | 1.34Å | |
| O2 | C1 | sing | 1.36Å | 1.33Å | |
| C1 | C | sing | 1.47Å | 1.46Å | |
| C | O1 | doub | 1.22Å | 1.22Å | |
| C | O | sing | 1.35Å | 1.33Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C5 | C4 | 110.2° | 109.4° |
| C5 | O3 | H5 | 109.5° | 114.0° |
| O3 | C5 | H6 | 109.3° | 109.5° |
| O3 | C5 | H7 | 109.3° | 109.5° |
| C5 | C4 | C3 | 119.6° | 120.0° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | H6 | 109.3° | 109.5° |
| C4 | C5 | H7 | 109.3° | 109.4° |
| C4 | C3 | C2 | 120.1° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C1 | O2 | 120.1° | 120.1° |
| C2 | C1 | C | 120.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| O2 | C1 | C | 119.9° | 119.9° |
| C1 | O2 | H1 | 109.5° | 114.0° |
| C1 | C | O1 | 120.8° | 119.9° |
| C1 | C | O | 119.9° | 120.0° |
| O1 | C | O | 119.4° | 120.0° |
| C | O | H | 109.5° | 114.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C5 | C4 | H6 | 120.1° | 120.0° |
| O3 | C5 | C4 | H7 | 120.1° | 120.0° |
| O3 | C5 | C4 | C3 | 156.9° | 135.0° |
| O3 | C5 | C4 | H4 | 23.1° | 45.0° |
| O3 | C5 | H6 | H7 | 119.7° | 120.1° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 173.9° | 180.0° |
| C4 | C5 | O3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 6.1° | 0.0° |
| C4 | C5 | H6 | H7 | 119.7° | 120.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.8° | 180.0° |
| C4 | C3 | C2 | H2 | 0.2° | 0.0° |
| C3 | C4 | C5 | H6 | 83.0° | 15.0° |
| C3 | C4 | C5 | H7 | 36.8° | 105.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | O2 | 0.1° | 0.0° |
| C3 | C2 | C1 | C | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 6.1° | 0.0° |
| C2 | C1 | O2 | C | 179.9° | 180.0° |
| C2 | C1 | C | O1 | 5.4° | 0.0° |
| C2 | C1 | C | O | 174.5° | 180.0° |
| C1 | C2 | C3 | H3 | 0.2° | 0.0° |
| C2 | C1 | O2 | H1 | 180.0° | 180.0° |
| O2 | C1 | C | O1 | 174.5° | 180.0° |
| O2 | C1 | C | O | 5.5° | 0.0° |
| O2 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C | O1 | O | 180.0° | 180.0° |
| C | C1 | C2 | H2 | 0.0° | 0.0° |
| C | C1 | O2 | H1 | 0.1° | 0.1° |
| C1 | C | O | H | 180.0° | 180.0° |
| O1 | C | O | H | 0.0° | 0.1° |
| H5 | O3 | C5 | H6 | 59.9° | 60.0° |
| H5 | O3 | C5 | H7 | 59.9° | 60.0° |
| H4 | C4 | C3 | H3 | 173.9° | 180.0° |
| H4 | C4 | C5 | H6 | 97.0° | 165.0° |
| H4 | C4 | C5 | H7 | 143.2° | 75.0° |
| H3 | C3 | C2 | H2 | 179.8° | 180.0° |
