OR6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C4 | doub | 1.22Å | 1.33Å | |
| O1 | C5 | doub | 1.21Å | 1.16Å | |
| C4 | O4 | sing | 1.35Å | 1.35Å | |
| C4 | C1 | sing | 1.47Å | 1.48Å | |
| C2 | C5 | sing | 1.51Å | 1.55Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O2 | sing | 1.34Å | 1.24Å | |
| C1 | C3 | doub | 1.33Å | 1.38Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C4 | O4 | 128.6° | 120.0° |
| O3 | C4 | C1 | 114.6° | 120.0° |
| O1 | C5 | C2 | 118.2° | 120.0° |
| O1 | C5 | O2 | 122.3° | 120.0° |
| O4 | C4 | C1 | 116.7° | 120.0° |
| C4 | O4 | H7 | 109.5° | 116.9° |
| C4 | C1 | C2 | 115.9° | 120.0° |
| C4 | C1 | C3 | 123.8° | 120.0° |
| C5 | C2 | C1 | 107.4° | 109.5° |
| C5 | C2 | C6 | 108.5° | 109.4° |
| C2 | C5 | O2 | 119.1° | 120.0° |
| C5 | C2 | H2 | 108.6° | 109.5° |
| C1 | C2 | C6 | 114.5° | 109.5° |
| C2 | C1 | C3 | 120.3° | 120.0° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| C2 | C6 | C7 | 109.8° | 109.5° |
| C6 | C2 | H2 | 108.9° | 109.5° |
| C2 | C6 | H8 | 109.4° | 109.5° |
| C2 | C6 | H9 | 109.4° | 109.5° |
| C5 | O2 | H3 | 109.5° | 117.0° |
| C1 | C3 | H4 | 120.0° | 120.0° |
| C1 | C3 | H5 | 120.0° | 120.0° |
| C6 | C7 | C8 | 110.5° | 109.5° |
| C7 | C6 | H8 | 109.4° | 109.4° |
| C7 | C6 | H9 | 109.4° | 109.5° |
| C6 | C7 | H10 | 109.2° | 109.4° |
| C6 | C7 | H11 | 109.2° | 109.4° |
| C7 | C8 | C9 | 108.6° | 109.5° |
| C8 | C7 | H10 | 109.2° | 109.5° |
| C8 | C7 | H11 | 109.2° | 109.5° |
| C7 | C8 | H12 | 109.7° | 109.5° |
| C7 | C8 | H13 | 109.7° | 109.4° |
| C9 | C8 | H12 | 109.7° | 109.5° |
| C9 | C8 | H13 | 109.7° | 109.5° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H15 | 109.5° | 109.4° |
| C8 | C9 | H16 | 109.5° | 109.4° |
| H4 | C3 | H5 | 120.0° | 119.9° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.6° |
| H14 | C9 | H16 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C4 | O4 | C1 | 176.3° | 179.9° |
| O3 | C4 | C1 | C2 | 26.8° | 179.7° |
| O3 | C4 | C1 | C3 | 156.8° | 0.1° |
| O3 | C4 | O4 | H7 | 0.0° | 0.1° |
| O1 | C5 | C2 | O2 | 173.6° | 180.0° |
| O1 | C5 | C2 | C1 | 110.8° | 0.0° |
| O1 | C5 | C2 | C6 | 125.0° | 120.0° |
| O1 | C5 | C2 | H2 | 6.8° | 120.0° |
| O1 | C5 | O2 | H3 | 0.0° | 0.1° |
| O4 | C4 | C1 | C2 | 150.1° | 0.3° |
| O4 | C4 | C1 | C3 | 26.3° | 180.0° |
| C4 | C1 | C2 | C5 | 32.9° | 60.3° |
| C4 | C1 | C2 | C3 | 176.6° | 179.7° |
| C4 | C1 | C2 | C6 | 153.4° | 59.7° |
| C4 | C1 | C2 | H2 | 84.5° | 179.7° |
| C4 | C1 | C3 | H4 | 176.3° | 0.3° |
| C4 | C1 | C3 | H5 | 3.7° | 179.7° |
| C1 | C4 | O4 | H7 | 176.4° | 180.0° |
| C5 | C2 | C1 | C6 | 120.5° | 120.0° |
| C5 | C2 | C1 | H2 | 117.4° | 120.0° |
| C5 | C2 | C6 | H2 | 118.1° | 120.0° |
| C5 | C2 | C1 | C3 | 143.7° | 120.1° |
| C5 | C2 | C6 | C7 | 69.5° | 65.0° |
| C2 | C5 | O2 | H3 | 173.3° | 180.0° |
| C5 | C2 | C6 | H8 | 50.5° | 55.0° |
| C5 | C2 | C6 | H9 | 170.4° | 175.0° |
| C1 | C2 | C6 | H2 | 122.1° | 120.0° |
| C1 | C2 | C5 | O2 | 75.6° | 180.0° |
| C1 | C2 | C6 | C7 | 170.6° | 175.0° |
| C2 | C1 | C3 | H4 | 0.0° | 180.0° |
| C2 | C1 | C3 | H5 | 180.0° | 0.0° |
| C1 | C2 | C6 | H8 | 69.3° | 65.0° |
| C1 | C2 | C6 | H9 | 50.6° | 55.0° |
| C6 | C2 | C5 | O2 | 48.6° | 60.0° |
| C6 | C2 | C1 | C3 | 23.2° | 120.0° |
| C2 | C6 | C7 | H8 | 120.0° | 120.0° |
| C2 | C6 | C7 | H9 | 120.0° | 120.0° |
| C2 | C6 | C7 | C8 | 170.6° | NaN° |
| C2 | C6 | H8 | H9 | 119.8° | 120.0° |
| C2 | C6 | C7 | H10 | 69.2° | 60.0° |
| C2 | C6 | C7 | H11 | 50.5° | 60.0° |
| O2 | C5 | C2 | H2 | 166.8° | 59.9° |
| C3 | C1 | C2 | H2 | 98.9° | 0.0° |
| C1 | C3 | H4 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | H10 | 120.1° | 120.0° |
| C6 | C7 | C8 | H11 | 120.2° | 120.0° |
| C6 | C7 | C8 | C9 | 171.3° | 180.0° |
| C7 | C6 | C2 | H2 | 48.5° | 55.0° |
| C7 | C6 | H8 | H9 | 119.9° | 120.0° |
| C6 | C7 | H10 | H11 | 119.5° | 119.9° |
| C6 | C7 | C8 | H12 | 51.4° | 60.0° |
| C6 | C7 | C8 | H13 | 68.8° | 60.0° |
| C7 | C8 | C9 | H12 | 119.9° | 120.0° |
| C7 | C8 | C9 | H13 | 119.9° | 119.9° |
| C8 | C7 | C6 | H8 | 50.6° | 60.0° |
| C8 | C7 | C6 | H9 | 69.3° | 60.0° |
| C8 | C7 | H10 | H11 | 119.5° | 120.1° |
| C7 | C8 | H12 | H13 | 120.4° | 120.0° |
| C7 | C8 | C9 | H14 | 180.0° | 60.0° |
| C7 | C8 | C9 | H15 | 60.0° | 60.0° |
| C7 | C8 | C9 | H16 | 60.0° | 180.0° |
| C9 | C8 | C7 | H10 | 68.5° | 60.0° |
| C9 | C8 | C7 | H11 | 51.2° | 60.0° |
| C9 | C8 | H12 | H13 | 120.4° | 120.0° |
| C8 | C9 | H14 | H15 | 120.0° | 120.0° |
| C8 | C9 | H14 | H16 | 120.0° | 119.9° |
| C8 | C9 | H15 | H16 | 120.0° | 119.9° |
| H2 | C2 | C6 | H8 | 168.6° | 175.0° |
| H2 | C2 | C6 | H9 | 71.5° | 65.0° |
| H8 | C6 | C7 | H10 | 170.8° | 180.0° |
| H8 | C6 | C7 | H11 | 69.5° | 60.1° |
| H9 | C6 | C7 | H10 | 50.8° | 60.0° |
| H9 | C6 | C7 | H11 | 170.5° | 180.0° |
| H10 | C7 | C8 | H12 | 171.6° | 180.0° |
| H10 | C7 | C8 | H13 | 51.4° | 60.0° |
| H11 | C7 | C8 | H12 | 68.7° | 60.0° |
| H11 | C7 | C8 | H13 | 171.1° | 180.0° |
| H12 | C8 | C9 | H14 | 60.1° | 180.0° |
| H12 | C8 | C9 | H15 | 179.9° | 60.0° |
| H12 | C8 | C9 | H16 | 59.9° | 60.0° |
| H13 | C8 | C9 | H14 | 60.1° | 59.9° |
| H13 | C8 | C9 | H15 | 59.9° | 180.0° |
| H13 | C8 | C9 | H16 | 179.9° | 60.1° |
| H14 | C9 | H15 | H16 | 120.0° | 120.1° |
