CIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C5 | doub | 1.21Å | 1.34Å | |
| O2 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.48Å | 1.48Å | |
| C1 | O1 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | doub | 1.34Å | 1.34Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | O3 | sing | 1.35Å | 1.22Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C5 | C3 | 117.5° | 120.0° |
| O4 | C5 | O3 | 122.0° | 120.0° |
| O2 | C1 | C2 | 123.4° | 120.0° |
| O2 | C1 | O1 | 118.8° | 120.0° |
| C2 | C1 | O1 | 117.7° | 120.0° |
| C1 | C2 | C3 | 124.2° | 120.0° |
| C1 | C2 | H5 | 117.9° | 120.0° |
| C1 | O1 | H6 | 109.5° | 117.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | C5 | 120.8° | 120.0° |
| C3 | C2 | H5 | 117.9° | 120.0° |
| C4 | C3 | C5 | 118.5° | 120.0° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.5° | 109.4° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C5 | O3 | 120.5° | 120.0° |
| C5 | O3 | H1 | 109.5° | 117.0° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H4 | 109.5° | 109.5° |
| H3 | C4 | H4 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C5 | C3 | C2 | 100.8° | 104.6° |
| O4 | C5 | C3 | C4 | 79.7° | 75.5° |
| O4 | C5 | C3 | O3 | 178.8° | 179.8° |
| O4 | C5 | O3 | H1 | 0.0° | 0.0° |
| O2 | C1 | C2 | O1 | 178.8° | 180.0° |
| O2 | C1 | C2 | C3 | 25.3° | 5.7° |
| O2 | C1 | C2 | H5 | 154.7° | 174.3° |
| O2 | C1 | O1 | H6 | 0.0° | 0.0° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 178.4° | 174.0° |
| C1 | C2 | C3 | C5 | 1.1° | 6.0° |
| C2 | C1 | O1 | H6 | 178.8° | 180.0° |
| O1 | C1 | C2 | C3 | 153.5° | 174.3° |
| O1 | C1 | C2 | H5 | 26.6° | 5.7° |
| C2 | C3 | C4 | C5 | 179.5° | 180.0° |
| C2 | C3 | C5 | O3 | 78.0° | 75.2° |
| C2 | C3 | C4 | H2 | 180.0° | 89.9° |
| C2 | C3 | C4 | H3 | 60.0° | 30.0° |
| C2 | C3 | C4 | H4 | 60.0° | 149.9° |
| C4 | C3 | C5 | O3 | 101.5° | 104.8° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C3 | C4 | H2 | H4 | 120.0° | 120.1° |
| C3 | C4 | H3 | H4 | 120.0° | 120.0° |
| C4 | C3 | C2 | H5 | 1.7° | 6.0° |
| C3 | C5 | O3 | H1 | 178.8° | 179.7° |
| C5 | C3 | C4 | H2 | 0.5° | 90.0° |
| C5 | C3 | C4 | H3 | 119.5° | 150.0° |
| C5 | C3 | C4 | H4 | 120.5° | 30.1° |
| C5 | C3 | C2 | H5 | 178.9° | 174.0° |
| H2 | C4 | H3 | H4 | 120.0° | 120.0° |
