8LR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAG | sing | 1.43Å | 1.43Å | |
| CAG | CAH | sing | 1.53Å | 1.54Å | |
| CAH | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | O5 | sing | 1.43Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| O5 | C5 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C3 | O3 | sing | 1.43Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.47Å | |
| C2 | O2 | sing | 1.43Å | 1.45Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAG | CAH | 106.4° | 109.5° |
| OAF | CAG | HAG1 | 110.2° | 109.5° |
| OAF | CAG | HAG2 | 110.2° | 109.5° |
| CAG | OAF | HAF | 109.5° | 114.0° |
| CAG | CAH | O1 | 109.8° | 109.5° |
| CAH | CAG | HAG1 | 110.3° | 109.5° |
| CAH | CAG | HAG2 | 110.2° | 109.5° |
| CAG | CAH | HAH1 | 109.4° | 109.5° |
| CAG | CAH | HAH2 | 109.4° | 109.5° |
| CAH | O1 | C1 | 110.5° | 114.0° |
| O1 | CAH | HAH1 | 109.4° | 109.4° |
| O1 | CAH | HAH2 | 109.4° | 109.5° |
| O1 | C1 | O5 | 108.7° | 109.5° |
| O1 | C1 | C2 | 110.1° | 109.5° |
| O1 | C1 | H1 | 109.7° | 109.5° |
| O5 | C1 | C2 | 111.5° | 109.4° |
| C1 | O5 | C5 | 110.8° | 114.1° |
| O5 | C1 | H1 | 108.6° | 109.5° |
| C1 | C2 | C3 | 111.6° | 109.2° |
| C1 | C2 | O2 | 107.0° | 109.5° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| O5 | C5 | C6 | 108.8° | 109.5° |
| O5 | C5 | C4 | 112.1° | 109.4° |
| O5 | C5 | H5 | 108.7° | 109.5° |
| C6 | C5 | C4 | 110.9° | 109.5° |
| C5 | C6 | O6 | 109.0° | 109.5° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | H61 | 109.6° | 109.5° |
| C5 | C6 | H62 | 109.6° | 109.5° |
| C5 | C4 | O4 | 108.7° | 109.5° |
| C5 | C4 | C3 | 111.6° | 109.2° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.5° |
| O6 | C6 | H61 | 109.6° | 109.4° |
| O6 | C6 | H62 | 109.6° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C4 | C3 | 108.1° | 109.5° |
| O4 | C4 | H4 | 110.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 110.7° | 109.6° |
| C4 | C3 | C2 | 112.3° | 109.0° |
| C3 | C4 | H4 | 109.3° | 109.6° |
| C4 | C3 | H3 | 108.2° | 109.6° |
| O3 | C3 | C2 | 108.6° | 109.6° |
| O3 | C3 | H3 | 108.4° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | O2 | 110.3° | 109.5° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 108.6° | 109.6° |
| O2 | C2 | H2 | 109.6° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| HAG1 | CAG | HAG2 | 109.5° | 109.5° |
| HAH1 | CAH | HAH2 | 109.4° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAG | CAH | HAG1 | 119.5° | 120.0° |
| OAF | CAG | CAH | HAG2 | 119.5° | 120.0° |
| OAF | CAG | CAH | O1 | 152.4° | 65.0° |
| OAF | CAG | HAG1 | HAG2 | 121.4° | 120.0° |
| OAF | CAG | CAH | HAH1 | 32.4° | 175.1° |
| OAF | CAG | CAH | HAH2 | 87.5° | 55.0° |
| CAG | CAH | O1 | HAH1 | 120.1° | 120.0° |
| CAG | CAH | O1 | HAH2 | 120.0° | 120.1° |
| CAG | CAH | O1 | C1 | 160.7° | 180.0° |
| CAH | CAG | HAG1 | HAG2 | 121.5° | 120.0° |
| CAG | CAH | HAH1 | HAH2 | 119.8° | 120.1° |
| CAH | CAG | OAF | HAF | 180.0° | 180.0° |
| CAH | O1 | C1 | O5 | 62.3° | 70.0° |
| CAH | O1 | C1 | C2 | 175.4° | 170.1° |
| O1 | CAH | CAG | HAG1 | 88.1° | 55.0° |
| O1 | CAH | CAG | HAG2 | 32.9° | 175.0° |
| O1 | CAH | HAH1 | HAH2 | 119.9° | 119.9° |
| CAH | O1 | C1 | H1 | 56.3° | 50.0° |
| O1 | C1 | O5 | C2 | 121.5° | 120.0° |
| O1 | C1 | O5 | H1 | 119.2° | 120.0° |
| O1 | C1 | C2 | H1 | 119.9° | 120.0° |
| O1 | C1 | O5 | C5 | 65.7° | 58.9° |
| O1 | C1 | C2 | C3 | 65.5° | 62.4° |
| O1 | C1 | C2 | O2 | 173.8° | 177.7° |
| C1 | O1 | CAH | HAH1 | 79.3° | 60.0° |
| C1 | O1 | CAH | HAH2 | 40.6° | 59.9° |
| O1 | C1 | C2 | H2 | 55.4° | 57.6° |
| O5 | C1 | C2 | H1 | 119.4° | 120.0° |
| C1 | O5 | C5 | C6 | 178.1° | 178.9° |
| C1 | O5 | C5 | C4 | 55.1° | 61.1° |
| O5 | C1 | C2 | C3 | 55.2° | 57.6° |
| O5 | C1 | C2 | O2 | 65.5° | 62.3° |
| O5 | C1 | C2 | H2 | 176.1° | 177.5° |
| C1 | O5 | C5 | H5 | 64.5° | 58.8° |
| C2 | C1 | O5 | C5 | 55.8° | 61.1° |
| C1 | C2 | C3 | C4 | 53.4° | 56.9° |
| C1 | C2 | C3 | O3 | 176.1° | 176.9° |
| C1 | C2 | C3 | O2 | 118.8° | 119.9° |
| C1 | C2 | C3 | H2 | 120.6° | 119.9° |
| C1 | C2 | O2 | H2 | 117.9° | 120.1° |
| C1 | C2 | C3 | H3 | 66.2° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| O5 | C5 | C6 | C4 | 123.7° | 119.9° |
| O5 | C5 | C6 | H5 | 117.8° | 120.0° |
| O5 | C5 | C4 | H5 | 119.8° | 120.0° |
| O5 | C5 | C6 | O6 | 50.5° | 65.0° |
| O5 | C5 | C4 | O4 | 172.5° | 177.5° |
| O5 | C5 | C4 | C3 | 53.3° | 57.6° |
| C5 | O5 | C1 | H1 | 175.1° | 178.8° |
| O5 | C5 | C6 | H61 | 69.4° | 175.0° |
| O5 | C5 | C6 | H62 | 170.4° | 55.0° |
| O5 | C5 | C4 | H4 | 67.6° | 62.4° |
| C6 | C5 | C4 | H5 | 118.4° | 120.0° |
| C5 | C6 | O6 | H61 | 119.9° | 120.0° |
| C5 | C6 | O6 | H62 | 119.9° | 120.0° |
| C6 | C5 | C4 | O4 | 65.8° | 62.5° |
| C6 | C5 | C4 | C3 | 175.0° | 177.6° |
| C5 | C6 | H61 | H62 | 120.2° | 120.0° |
| C6 | C5 | C4 | H4 | 54.2° | 57.6° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 73.2° | 175.0° |
| C5 | C4 | O4 | C3 | 121.3° | 119.7° |
| C5 | C4 | O4 | H4 | 119.4° | 120.1° |
| C5 | C4 | C3 | H4 | 120.8° | 120.0° |
| C5 | C4 | C3 | O3 | 174.0° | 176.9° |
| C5 | C4 | C3 | C2 | 52.4° | 57.0° |
| C4 | C5 | C6 | H61 | 166.9° | 55.1° |
| C4 | C5 | C6 | H62 | 46.8° | 64.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 67.4° | 62.9° |
| O6 | C6 | C5 | H5 | 168.3° | 55.0° |
| O6 | C6 | H61 | H62 | 120.3° | 120.0° |
| O4 | C4 | C3 | H4 | 119.7° | 120.1° |
| O4 | C4 | C3 | O3 | 66.5° | 63.2° |
| O4 | C4 | C3 | C2 | 171.9° | 176.9° |
| O4 | C4 | C5 | H5 | 52.6° | 57.5° |
| O4 | C4 | C3 | H3 | 52.1° | 57.0° |
| C4 | C3 | O3 | C2 | 123.7° | 119.6° |
| C4 | C3 | O3 | H3 | 118.5° | 120.2° |
| C4 | C3 | C2 | H3 | 119.6° | 119.9° |
| C4 | C3 | C2 | O2 | 65.4° | 63.0° |
| C4 | C3 | C2 | H2 | 174.0° | 176.9° |
| C3 | C4 | C5 | H5 | 66.5° | 62.4° |
| C3 | C4 | O4 | HO4 | 58.7° | 60.3° |
| C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
| O3 | C3 | C2 | H3 | 117.7° | 120.2° |
| O3 | C3 | C2 | O2 | 57.3° | 57.0° |
| O3 | C3 | C2 | H2 | 63.3° | 63.2° |
| O3 | C3 | C4 | H4 | 53.2° | 56.9° |
| C3 | C2 | O2 | H2 | 120.6° | 120.2° |
| C3 | C2 | C1 | H1 | 174.6° | 177.6° |
| C2 | C3 | C4 | H4 | 68.4° | 63.0° |
| C2 | C3 | O3 | HO3 | 56.3° | 60.4° |
| C3 | C2 | O2 | HO2 | 58.5° | 179.7° |
| O2 | C2 | C1 | H1 | 53.9° | 57.7° |
| O2 | C2 | C3 | H3 | 175.0° | 177.2° |
| HAG1 | CAG | CAH | HAH1 | 151.9° | 65.0° |
| HAG1 | CAG | CAH | HAH2 | 32.0° | 175.0° |
| HAG1 | CAG | OAF | HAF | 60.4° | 60.1° |
| HAG2 | CAG | CAH | HAH1 | 87.1° | 55.0° |
| HAG2 | CAG | CAH | HAH2 | 153.0° | 65.0° |
| HAG2 | CAG | OAF | HAF | 60.5° | 60.0° |
| H1 | C1 | C2 | H2 | 64.5° | 62.4° |
| H2 | C2 | C3 | H3 | 54.4° | 57.0° |
| H2 | C2 | O2 | HO2 | 62.1° | 60.1° |
| H5 | C5 | C6 | H61 | 48.4° | 64.9° |
| H5 | C5 | C6 | H62 | 71.8° | 175.1° |
| H5 | C5 | C4 | H4 | 172.6° | 177.6° |
| H61 | C6 | O6 | HO6 | 60.1° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.1° | 60.0° |
| H4 | C4 | O4 | HO4 | 60.6° | 59.9° |
| H4 | C4 | C3 | H3 | 171.8° | 177.1° |
| H3 | C3 | O3 | HO3 | 61.5° | 59.8° |
