O8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O5 | sing | 1.43Å | 1.40Å | |
| C6 | O5 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O3 | sing | 1.45Å | 1.40Å | |
| O2 | C4 | doub | 1.21Å | 1.19Å | |
| O3 | C4 | sing | 1.35Å | 1.39Å | |
| C4 | C3 | sing | 1.48Å | 1.52Å | |
| O1 | C2 | doub | 1.21Å | 1.18Å | |
| C3 | C2 | sing | 1.47Å | 1.52Å | |
| C3 | N1 | doub | 1.30Å | 1.25Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| O4 | N1 | sing | 1.42Å | 1.39Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | O5 | C6 | 113.4° | 114.0° |
| O5 | C7 | H5 | 109.5° | 109.5° |
| O5 | C7 | H6 | 109.4° | 109.4° |
| O5 | C7 | H7 | 109.4° | 109.5° |
| O5 | C6 | C5 | 109.8° | 109.5° |
| O5 | C6 | H3 | 109.4° | 109.4° |
| O5 | C6 | H4 | 109.4° | 109.5° |
| C6 | C5 | O3 | 109.7° | 109.5° |
| C6 | C5 | H1 | 109.4° | 109.5° |
| C6 | C5 | H2 | 109.4° | 109.5° |
| C5 | C6 | H3 | 109.4° | 109.4° |
| C5 | C6 | H4 | 109.4° | 109.5° |
| C5 | O3 | C4 | 113.8° | 117.0° |
| O3 | C5 | H1 | 109.4° | 109.4° |
| O3 | C5 | H2 | 109.4° | 109.5° |
| O2 | C4 | O3 | 121.0° | 120.0° |
| O2 | C4 | C3 | 121.8° | 120.0° |
| O3 | C4 | C3 | 117.1° | 120.0° |
| C4 | C3 | C2 | 117.6° | 120.0° |
| C4 | C3 | N1 | 122.8° | 120.0° |
| O1 | C2 | C3 | 118.4° | 120.0° |
| O1 | C2 | C1 | 121.5° | 120.0° |
| C2 | C3 | N1 | 119.6° | 120.0° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | N1 | O4 | 120.5° | 120.0° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| N1 | O4 | H11 | 109.5° | 114.0° |
| H1 | C5 | H2 | 109.5° | 109.4° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | O5 | C6 | C5 | 155.7° | 180.0° |
| C7 | O5 | C6 | H3 | 84.2° | 60.0° |
| C7 | O5 | C6 | H4 | 35.7° | 60.0° |
| O5 | C7 | H5 | H6 | 120.0° | 120.0° |
| O5 | C7 | H5 | H7 | 120.0° | 120.0° |
| O5 | C7 | H6 | H7 | 120.0° | 120.0° |
| O5 | C6 | C5 | H3 | 120.1° | 119.9° |
| O5 | C6 | C5 | H4 | 120.0° | 120.0° |
| O5 | C6 | C5 | O3 | 56.9° | 65.0° |
| O5 | C6 | C5 | H1 | 177.0° | 175.0° |
| O5 | C6 | C5 | H2 | 63.1° | 55.0° |
| O5 | C6 | H3 | H4 | 119.8° | 120.0° |
| C6 | O5 | C7 | H5 | 180.0° | 60.0° |
| C6 | O5 | C7 | H6 | 60.0° | 60.0° |
| C6 | O5 | C7 | H7 | 60.0° | 180.0° |
| C6 | C5 | O3 | H1 | 120.1° | 120.0° |
| C6 | C5 | O3 | H2 | 120.0° | 120.1° |
| C6 | C5 | O3 | C4 | 91.1° | 180.0° |
| C6 | C5 | H1 | H2 | 119.9° | 120.1° |
| C5 | C6 | H3 | H4 | 119.8° | 120.0° |
| C5 | O3 | C4 | O2 | 0.9° | 0.1° |
| C5 | O3 | C4 | C3 | 179.3° | 180.0° |
| O3 | C5 | H1 | H2 | 119.9° | 120.0° |
| O3 | C5 | C6 | H3 | 63.1° | 175.0° |
| O3 | C5 | C6 | H4 | 177.0° | 55.0° |
| O2 | C4 | O3 | C3 | 178.4° | 180.0° |
| O2 | C4 | C3 | C2 | 87.4° | 0.0° |
| O2 | C4 | C3 | N1 | 93.8° | 180.0° |
| O3 | C4 | C3 | C2 | 91.0° | 180.0° |
| O3 | C4 | C3 | N1 | 87.8° | 0.0° |
| C4 | O3 | C5 | H1 | 29.0° | 60.0° |
| C4 | O3 | C5 | H2 | 148.9° | 59.9° |
| C4 | C3 | C2 | O1 | 9.4° | 0.0° |
| C4 | C3 | C2 | N1 | 178.9° | 180.0° |
| C4 | C3 | C2 | C1 | 171.8° | 180.0° |
| C4 | C3 | N1 | O4 | 0.3° | 0.0° |
| O1 | C2 | C3 | C1 | 178.8° | 180.0° |
| O1 | C2 | C3 | N1 | 169.5° | 180.0° |
| O1 | C2 | C1 | H8 | 0.0° | 90.0° |
| O1 | C2 | C1 | H9 | 120.0° | 29.9° |
| O1 | C2 | C1 | H10 | 120.0° | 150.0° |
| C2 | C3 | N1 | O4 | 179.2° | 180.0° |
| C3 | C2 | C1 | H8 | 178.8° | 90.0° |
| C3 | C2 | C1 | H9 | 61.2° | 150.0° |
| C3 | C2 | C1 | H10 | 58.8° | 29.9° |
| N1 | C3 | C2 | C1 | 9.3° | 0.0° |
| C3 | N1 | O4 | H11 | 180.0° | 180.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 119.9° |
| C2 | C1 | H9 | H10 | 120.0° | 120.1° |
| H1 | C5 | C6 | H3 | 56.9° | 55.1° |
| H1 | C5 | C6 | H4 | 63.0° | 65.0° |
| H2 | C5 | C6 | H3 | 176.9° | 64.9° |
| H2 | C5 | C6 | H4 | 56.9° | 175.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
