OIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C5 | sing | 1.80Å | 1.81Å | |
| O2 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| O3 | C7 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.50Å | 1.49Å | |
| C7 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.50Å | 1.50Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | doub | 1.29Å | 1.33Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C5 | C6 | 109.4° | 109.3° |
| CL1 | C5 | C4 | 109.6° | 109.4° |
| CL1 | C5 | H4 | 106.4° | 109.3° |
| O2 | C6 | C5 | 110.5° | 109.7° |
| O2 | C6 | C7 | 112.6° | 109.7° |
| O2 | C6 | H5 | 109.2° | 109.8° |
| C6 | O2 | H8 | 109.5° | 114.0° |
| C5 | C6 | C7 | 108.1° | 108.5° |
| C6 | C5 | C4 | 111.4° | 110.2° |
| C6 | C5 | H4 | 109.8° | 109.3° |
| C5 | C6 | H5 | 108.2° | 109.6° |
| C6 | C7 | O3 | 111.4° | 109.6° |
| C6 | C7 | C2 | 109.2° | 108.5° |
| C7 | C6 | H5 | 108.1° | 109.6° |
| C6 | C7 | H6 | 107.8° | 109.6° |
| O3 | C7 | C2 | 111.6° | 109.7° |
| O3 | C7 | H6 | 109.0° | 109.8° |
| C7 | O3 | H9 | 109.5° | 114.0° |
| C5 | C4 | C3 | 123.9° | 124.1° |
| C5 | C4 | H3 | 118.0° | 118.0° |
| C4 | C5 | H4 | 110.1° | 109.4° |
| C7 | C2 | C3 | 110.5° | 110.2° |
| C7 | C2 | O1 | 111.1° | 109.4° |
| C7 | C2 | H1 | 107.2° | 109.2° |
| C2 | C7 | H6 | 107.6° | 109.6° |
| C3 | C2 | O1 | 111.9° | 109.4° |
| C2 | C3 | C4 | 122.3° | 124.1° |
| C3 | C2 | H1 | 107.5° | 109.4° |
| C2 | C3 | H2 | 118.9° | 117.9° |
| O1 | C2 | H1 | 108.4° | 109.4° |
| C2 | O1 | H7 | 109.5° | 114.0° |
| C4 | C3 | H2 | 118.9° | 118.0° |
| C3 | C4 | H3 | 118.0° | 117.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C5 | C6 | O2 | 65.6° | 70.7° |
| CL1 | C5 | C6 | C4 | 121.3° | 120.2° |
| CL1 | C5 | C6 | H4 | 116.4° | 119.6° |
| CL1 | C5 | C6 | C7 | 170.8° | 169.6° |
| CL1 | C5 | C4 | H4 | 116.7° | 119.7° |
| CL1 | C5 | C4 | C3 | 138.3° | 137.2° |
| CL1 | C5 | C4 | H3 | 41.6° | 42.7° |
| CL1 | C5 | C6 | H5 | 53.9° | 49.9° |
| O2 | C6 | C5 | C7 | 123.6° | 119.7° |
| O2 | C6 | C5 | H5 | 119.5° | 120.6° |
| O2 | C6 | C7 | H5 | 120.8° | 120.6° |
| O2 | C6 | C7 | O3 | 46.5° | 53.2° |
| O2 | C6 | C5 | C4 | 173.1° | 169.1° |
| O2 | C6 | C7 | C2 | 170.3° | 172.9° |
| O2 | C6 | C5 | H4 | 50.8° | 48.9° |
| O2 | C6 | C7 | H6 | 73.1° | 67.4° |
| C5 | C6 | C7 | H5 | 116.9° | 119.6° |
| C5 | C6 | C7 | O3 | 168.8° | 172.9° |
| C6 | C5 | C4 | H4 | 122.1° | 120.2° |
| C5 | C6 | C7 | C2 | 67.4° | 67.3° |
| C6 | C5 | C4 | C3 | 17.1° | 17.1° |
| C6 | C5 | C4 | H3 | 162.8° | 162.9° |
| C5 | C6 | C7 | H6 | 49.2° | 52.3° |
| C5 | C6 | O2 | H8 | 180.0° | 60.0° |
| C6 | C7 | O3 | C2 | 122.4° | 119.0° |
| C6 | C7 | O3 | H6 | 118.9° | 120.5° |
| C7 | C6 | C5 | C4 | 49.4° | 49.3° |
| C6 | C7 | C2 | H6 | 116.8° | 119.6° |
| C6 | C7 | C2 | C3 | 49.9° | 49.4° |
| C6 | C7 | C2 | O1 | 174.7° | 169.7° |
| C6 | C7 | C2 | H1 | 67.0° | 70.7° |
| C7 | C6 | C5 | H4 | 72.9° | 70.9° |
| C7 | C6 | O2 | H8 | 59.1° | 179.0° |
| C6 | C7 | O3 | H9 | 180.0° | 180.0° |
| O3 | C7 | C2 | H6 | 119.6° | 120.7° |
| O3 | C7 | C2 | C3 | 173.5° | 169.1° |
| O3 | C7 | C2 | O1 | 61.6° | 70.6° |
| O3 | C7 | C2 | H1 | 56.6° | 49.0° |
| O3 | C7 | C6 | H5 | 74.3° | 67.5° |
| C5 | C4 | C3 | C2 | 0.4° | 0.4° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | H2 | 179.6° | 179.6° |
| C4 | C5 | C6 | H5 | 67.4° | 70.3° |
| C7 | C2 | C3 | O1 | 124.4° | 120.3° |
| C7 | C2 | C3 | H1 | 116.7° | 120.0° |
| C7 | C2 | O1 | H1 | 117.5° | 119.5° |
| C7 | C2 | C3 | C4 | 17.0° | 17.1° |
| C7 | C2 | C3 | H2 | 163.0° | 162.9° |
| C2 | C7 | C6 | H5 | 49.5° | 52.3° |
| C7 | C2 | O1 | H7 | 180.0° | 179.3° |
| C2 | C7 | O3 | H9 | 57.6° | 61.1° |
| C3 | C2 | O1 | H1 | 118.4° | 119.7° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 179.6° | 179.5° |
| C3 | C2 | C7 | H6 | 66.9° | 70.2° |
| C3 | C2 | O1 | H7 | 56.0° | 60.0° |
| O1 | C2 | C3 | C4 | 141.4° | 137.4° |
| O1 | C2 | C3 | H2 | 38.6° | 42.7° |
| O1 | C2 | C7 | H6 | 57.9° | 50.0° |
| C4 | C3 | C2 | H1 | 99.7° | 102.9° |
| C3 | C4 | C5 | H4 | 104.9° | 103.1° |
| H1 | C2 | C3 | H2 | 80.3° | 77.1° |
| H1 | C2 | C7 | H6 | 176.2° | 169.7° |
| H1 | C2 | O1 | H7 | 62.5° | 59.8° |
| H2 | C3 | C4 | H3 | 0.4° | 0.5° |
| H3 | C4 | C5 | H4 | 75.1° | 76.9° |
| H4 | C5 | C6 | H5 | 170.3° | 169.5° |
| H5 | C6 | C7 | H6 | 166.1° | 171.9° |
| H5 | C6 | O2 | H8 | 61.1° | 60.5° |
| H6 | C7 | O3 | H9 | 61.1° | 59.5° |
