KIV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.35Å | 1.36Å | |
| O1 | HO11 | sing | 0.97Å | 0.95Å | |
| C1 | O2 | doub | 1.21Å | 1.20Å | |
| C1 | C2 | sing | 1.49Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.56Å | |
| C2 | O3 | doub | 1.21Å | 1.20Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | HC31 | sing | 1.09Å | 1.12Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C4 | HC43 | sing | 1.09Å | 1.11Å | |
| C5 | HC51 | sing | 1.09Å | 1.11Å | |
| C5 | HC52 | sing | 1.09Å | 1.12Å | |
| C5 | HC53 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO11 | 119.9° | 120.0° |
| O1 | C1 | O2 | 119.9° | 119.9° |
| O1 | C1 | C2 | 119.4° | 120.1° |
| O2 | C1 | C2 | 120.7° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C1 | C2 | O3 | 118.8° | 120.0° |
| C3 | C2 | O3 | 120.8° | 120.0° |
| C2 | C3 | C4 | 110.8° | 109.5° |
| C2 | C3 | C5 | 109.8° | 109.5° |
| C2 | C3 | HC31 | 108.1° | 109.4° |
| C4 | C3 | C5 | 108.9° | 109.4° |
| C4 | C3 | HC31 | 109.1° | 109.5° |
| C3 | C4 | HC41 | 110.8° | 109.6° |
| C3 | C4 | HC42 | 111.7° | 109.5° |
| C3 | C4 | HC43 | 111.7° | 109.4° |
| C5 | C3 | HC31 | 110.1° | 109.5° |
| C3 | C5 | HC51 | 109.8° | 109.5° |
| C3 | C5 | HC52 | 112.1° | 109.4° |
| C3 | C5 | HC53 | 112.1° | 109.5° |
| HC41 | C4 | HC42 | 111.8° | 109.5° |
| HC41 | C4 | HC43 | 111.8° | 109.4° |
| HC42 | C4 | HC43 | 98.7° | 109.5° |
| HC51 | C5 | HC52 | 112.1° | 109.4° |
| HC51 | C5 | HC53 | 112.1° | 109.5° |
| HC52 | C5 | HC53 | 98.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.8° | 179.9° |
| O1 | C1 | C2 | C3 | 165.1° | 180.0° |
| O1 | C1 | C2 | O3 | 14.6° | 0.1° |
| HO11 | O1 | C1 | O2 | 180.0° | 0.0° |
| HO11 | O1 | C1 | C2 | 0.1° | 179.9° |
| O2 | C1 | C2 | C3 | 15.1° | 0.1° |
| O2 | C1 | C2 | O3 | 165.3° | 180.0° |
| C1 | C2 | C3 | O3 | 179.7° | 179.9° |
| C1 | C2 | C3 | C4 | 151.6° | 150.0° |
| C1 | C2 | C3 | C5 | 88.1° | 89.9° |
| C1 | C2 | C3 | HC31 | 32.0° | 30.0° |
| C2 | C3 | C4 | C5 | 120.9° | 120.1° |
| C2 | C3 | C4 | HC31 | 118.9° | 120.0° |
| C2 | C3 | C5 | HC31 | 118.9° | 120.0° |
| C2 | C3 | C4 | HC41 | 180.0° | 180.0° |
| C2 | C3 | C4 | HC42 | 54.7° | 59.9° |
| C2 | C3 | C4 | HC43 | 54.7° | 60.1° |
| C2 | C3 | C5 | HC51 | 180.0° | 60.0° |
| C2 | C3 | C5 | HC52 | 54.7° | 60.0° |
| C2 | C3 | C5 | HC53 | 54.7° | 180.0° |
| O3 | C2 | C3 | C4 | 28.1° | 30.1° |
| O3 | C2 | C3 | C5 | 92.2° | 90.0° |
| O3 | C2 | C3 | HC31 | 147.6° | 150.1° |
| C4 | C3 | C5 | HC31 | 119.6° | 120.0° |
| C3 | C4 | HC41 | HC42 | 125.2° | 120.1° |
| C3 | C4 | HC41 | HC43 | 125.2° | 120.0° |
| C3 | C4 | HC42 | HC43 | 117.6° | 120.0° |
| C4 | C3 | C5 | HC51 | 58.6° | 60.1° |
| C4 | C3 | C5 | HC52 | 176.2° | 180.0° |
| C4 | C3 | C5 | HC53 | 66.8° | 60.0° |
| C5 | C3 | C4 | HC41 | 59.1° | 60.0° |
| C5 | C3 | C4 | HC42 | 66.1° | 180.0° |
| C5 | C3 | C4 | HC43 | 175.6° | 60.0° |
| C3 | C5 | HC51 | HC52 | 125.3° | 120.0° |
| C3 | C5 | HC51 | HC53 | 125.3° | 120.1° |
| C3 | C5 | HC52 | HC53 | 118.0° | 120.0° |
| HC31 | C3 | C4 | HC41 | 61.1° | 60.0° |
| HC31 | C3 | C4 | HC42 | 173.7° | 60.0° |
| HC31 | C3 | C4 | HC43 | 64.2° | 180.0° |
| HC31 | C3 | C5 | HC51 | 61.1° | 179.9° |
| HC31 | C3 | C5 | HC52 | 64.2° | 60.0° |
| HC31 | C3 | C5 | HC53 | 173.6° | 60.0° |
| HC41 | C4 | HC42 | HC43 | 117.7° | 119.9° |
| HC51 | C5 | HC52 | HC53 | 118.0° | 120.0° |
