PRD_900005
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O4' | sing | 1.43Å | 1.42Å | |
| C2 | O2 | sing | 1.43Å | 1.39Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| O6' | C6' | sing | 1.43Å | 1.43Å | |
| O4' | C4' | sing | 1.43Å | 1.42Å | |
| C4' | C3' | sing | 1.53Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C3' | C2' | sing | 1.53Å | 1.50Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C6' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O5' | C1' | sing | 1.43Å | 1.41Å | |
| C1' | O1' | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C6' | H6'2 | sing | 1.09Å | 1.10Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| O1' | HO1' | sing | 0.97Å | 0.95Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 115.3° | 109.5° |
| O4 | C4 | C3 | 102.8° | 109.6° |
| O4 | C4 | H4 | 112.6° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O6 | C6 | C5 | 110.7° | 109.4° |
| O6 | C6 | H62 | 109.2° | 109.5° |
| O6 | C6 | H61 | 109.2° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | C4 | 109.2° | 109.5° |
| C6 | C5 | O5 | 108.9° | 109.5° |
| C6 | C5 | H5 | 108.2° | 109.5° |
| C5 | C6 | H62 | 109.2° | 109.5° |
| C5 | C6 | H61 | 109.2° | 109.5° |
| C5 | C4 | C3 | 103.8° | 109.1° |
| C4 | C5 | O5 | 112.4° | 109.4° |
| C5 | C4 | H4 | 111.0° | 109.5° |
| C4 | C5 | H5 | 108.4° | 109.5° |
| C4 | C3 | O3 | 111.5° | 109.5° |
| C4 | C3 | C2 | 113.6° | 109.1° |
| C4 | C3 | H3 | 109.2° | 109.6° |
| C3 | C4 | H4 | 110.6° | 109.5° |
| C5 | O5 | C1 | 109.8° | 114.1° |
| O5 | C5 | H5 | 109.6° | 109.5° |
| O3 | C3 | C2 | 102.3° | 109.6° |
| O3 | C3 | H3 | 110.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | C1 | 107.3° | 109.2° |
| C3 | C2 | O2 | 111.5° | 109.5° |
| C3 | C2 | H2 | 109.9° | 109.6° |
| C2 | C3 | H3 | 109.6° | 109.5° |
| O5 | C1 | C2 | 110.4° | 109.4° |
| O5 | C1 | O4' | 105.4° | 109.4° |
| O5 | C1 | H1 | 111.6° | 109.5° |
| C2 | C1 | O4' | 107.5° | 109.5° |
| C1 | C2 | O2 | 106.9° | 109.5° |
| C2 | C1 | H1 | 110.0° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | O4' | C4' | 116.3° | 114.1° |
| O4' | C1 | H1 | 111.8° | 109.5° |
| O2 | C2 | H2 | 111.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| O3' | C3' | C4' | 110.4° | 109.6° |
| O3' | C3' | C2' | 107.1° | 109.5° |
| O3' | C3' | H3' | 109.3° | 109.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O6' | C6' | C5' | 109.5° | 109.5° |
| O6' | C6' | H6'2 | 109.5° | 109.4° |
| O6' | C6' | H6'1 | 109.5° | 109.5° |
| C6' | O6' | HO6' | 109.5° | 114.0° |
| O4' | C4' | C3' | 109.6° | 109.5° |
| O4' | C4' | C5' | 111.3° | 109.6° |
| O4' | C4' | H4' | 109.1° | 109.6° |
| C3' | C4' | C5' | 111.0° | 109.1° |
| C4' | C3' | C2' | 113.5° | 109.1° |
| C4' | C3' | H3' | 108.2° | 109.5° |
| C3' | C4' | H4' | 107.9° | 109.5° |
| C4' | C5' | C6' | 111.5° | 109.5° |
| C4' | C5' | O5' | 110.0° | 109.5° |
| C5' | C4' | H4' | 107.9° | 109.5° |
| C4' | C5' | H5' | 108.4° | 109.4° |
| C3' | C2' | O2' | 112.6° | 109.5° |
| C3' | C2' | C1' | 106.0° | 109.2° |
| C3' | C2' | H2' | 110.7° | 109.5° |
| C2' | C3' | H3' | 108.3° | 109.6° |
| O2' | C2' | C1' | 104.9° | 109.6° |
| O2' | C2' | H2' | 112.1° | 109.5° |
| C2' | O2' | HO2' | 109.5° | 113.9° |
| C2' | C1' | O5' | 110.3° | 109.5° |
| C2' | C1' | O1' | 110.0° | 109.5° |
| C2' | C1' | H1' | 109.0° | 109.5° |
| C1' | C2' | H2' | 110.2° | 109.5° |
| C6' | C5' | O5' | 109.1° | 109.5° |
| C6' | C5' | H5' | 108.3° | 109.4° |
| C5' | C6' | H6'2 | 109.5° | 109.5° |
| C5' | C6' | H6'1 | 109.5° | 109.4° |
| C5' | O5' | C1' | 109.2° | 114.1° |
| O5' | C5' | H5' | 109.6° | 109.5° |
| O5' | C1' | O1' | 106.1° | 109.4° |
| O5' | C1' | H1' | 110.8° | 109.5° |
| O1' | C1' | H1' | 110.6° | 109.4° |
| C1' | O1' | HO1' | 109.5° | 114.1° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| H6'2 | C6' | H6'1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C6 | 66.2° | 62.5° |
| O4 | C4 | C5 | C3 | 111.6° | 119.9° |
| O4 | C4 | C5 | H4 | 129.5° | 120.2° |
| O4 | C4 | C3 | H4 | 120.4° | 120.2° |
| O4 | C4 | C5 | O5 | 172.8° | 177.5° |
| O4 | C4 | C3 | O3 | 68.0° | 63.2° |
| O4 | C4 | C3 | C2 | 177.0° | 176.9° |
| O4 | C4 | C3 | H3 | 54.5° | 57.0° |
| O4 | C4 | C5 | H5 | 51.5° | 57.5° |
| O6 | C6 | C5 | H62 | 120.2° | 120.0° |
| O6 | C6 | C5 | H61 | 120.2° | 120.0° |
| O6 | C6 | C5 | C4 | 58.3° | 175.0° |
| O6 | C6 | C5 | O5 | 64.8° | 65.1° |
| O6 | C6 | C5 | H5 | 176.1° | 54.9° |
| O6 | C6 | H62 | H61 | 119.4° | 120.0° |
| C6 | C5 | C4 | O5 | 121.0° | 120.0° |
| C6 | C5 | C4 | H5 | 117.7° | 120.1° |
| C6 | C5 | C4 | C3 | 177.8° | 177.6° |
| C6 | C5 | O5 | H5 | 118.2° | 120.0° |
| C6 | C5 | O5 | C1 | 171.5° | 178.9° |
| C6 | C5 | C4 | H4 | 63.3° | 57.7° |
| C5 | C6 | H62 | H61 | 119.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 119.1° | 119.9° |
| C4 | C5 | O5 | H5 | 120.6° | 120.0° |
| C5 | C4 | C3 | O3 | 171.5° | 176.9° |
| C5 | C4 | C3 | C2 | 56.6° | 57.0° |
| C4 | C5 | O5 | C1 | 67.4° | 61.1° |
| C5 | C4 | C3 | H3 | 66.0° | 63.0° |
| C4 | C5 | C6 | H62 | 61.9° | 55.0° |
| C4 | C5 | C6 | H61 | 178.5° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 61.2° | 57.6° |
| C4 | C3 | O3 | C2 | 121.7° | 119.6° |
| C4 | C3 | O3 | H3 | 121.7° | 120.3° |
| C4 | C3 | C2 | H3 | 122.4° | 120.0° |
| C4 | C3 | C2 | C1 | 55.3° | 57.0° |
| C4 | C3 | C2 | O2 | 172.0° | 176.9° |
| C4 | C3 | C2 | H2 | 63.6° | 62.9° |
| C3 | C4 | C5 | H5 | 60.1° | 62.4° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.5° |
| C3 | C4 | O4 | HO4 | 67.8° | 60.3° |
| C5 | O5 | C1 | C2 | 62.4° | 61.1° |
| C5 | O5 | C1 | O4' | 178.2° | 178.8° |
| C5 | O5 | C1 | H1 | 60.3° | 58.9° |
| O5 | C5 | C4 | H4 | 57.7° | 62.2° |
| O5 | C5 | C6 | H62 | 175.0° | 175.0° |
| O5 | C5 | C6 | H61 | 55.4° | 54.9° |
| O3 | C3 | C2 | H3 | 117.3° | 120.1° |
| O3 | C3 | C2 | C1 | 175.6° | 176.8° |
| O3 | C3 | C2 | O2 | 67.7° | 63.2° |
| O3 | C3 | C2 | H2 | 56.6° | 56.9° |
| O3 | C3 | C4 | H4 | 52.4° | 57.0° |
| C3 | C2 | C1 | O5 | 55.9° | 57.6° |
| C3 | C2 | C1 | O2 | 119.7° | 119.9° |
| C3 | C2 | C1 | H2 | 119.3° | 120.0° |
| C3 | C2 | C1 | O4' | 170.4° | 177.6° |
| C3 | C2 | O2 | H2 | 123.4° | 120.2° |
| C3 | C2 | C1 | H1 | 67.7° | 62.4° |
| C2 | C3 | C4 | H4 | 62.6° | 62.9° |
| C3 | C2 | O2 | HO2 | 180.0° | 179.7° |
| C2 | C3 | O3 | HO3 | 58.3° | 59.9° |
| O5 | C1 | C2 | O4' | 114.5° | 120.0° |
| O5 | C1 | C2 | H1 | 123.6° | 120.0° |
| O5 | C1 | O4' | H1 | 121.4° | 120.0° |
| O5 | C1 | C2 | O2 | 175.6° | 177.5° |
| O5 | C1 | O4' | C4' | 79.2° | 65.0° |
| O5 | C1 | C2 | H2 | 63.3° | 62.4° |
| C1 | O5 | C5 | H5 | 53.3° | 58.9° |
| C2 | C1 | O4' | H1 | 120.8° | 120.1° |
| C1 | C2 | O2 | H2 | 119.7° | 120.1° |
| C2 | C1 | O4' | C4' | 163.1° | 175.0° |
| C1 | C2 | C3 | H3 | 67.1° | 63.0° |
| C1 | C2 | O2 | HO2 | 63.1° | 60.0° |
| O4' | C1 | C2 | O2 | 69.9° | 62.5° |
| C1 | O4' | C4' | C3' | 115.1° | 90.0° |
| C1 | O4' | C4' | C5' | 121.8° | 150.3° |
| O4' | C1 | C2 | H2 | 51.1° | 57.6° |
| C1 | O4' | C4' | H4' | 2.8° | 30.1° |
| O2 | C2 | C1 | H1 | 52.0° | 57.5° |
| O2 | C2 | C3 | H3 | 49.6° | 56.9° |
| O3' | C3' | C4' | O4' | 67.5° | 63.2° |
| O3' | C3' | C4' | C2' | 120.3° | 119.9° |
| O3' | C3' | C4' | H3' | 119.5° | 120.2° |
| O3' | C3' | C4' | C5' | 169.2° | 176.8° |
| O3' | C3' | C2' | H3' | 117.8° | 120.2° |
| O3' | C3' | C2' | O2' | 72.0° | 63.2° |
| O3' | C3' | C2' | C1' | 173.8° | 176.9° |
| O3' | C3' | C2' | H2' | 54.3° | 57.0° |
| O3' | C3' | C4' | H4' | 51.2° | 57.0° |
| O6' | C6' | C5' | C4' | 58.3° | 174.9° |
| O6' | C6' | C5' | H6'2 | 120.0° | 120.0° |
| O6' | C6' | C5' | H6'1 | 120.0° | 120.0° |
| O6' | C6' | C5' | O5' | 63.3° | 65.1° |
| O6' | C6' | C5' | H5' | 177.5° | 55.0° |
| O6' | C6' | H6'2 | H6'1 | 120.0° | 120.0° |
| O4' | C4' | C3' | C5' | 123.3° | 120.0° |
| O4' | C4' | C3' | H4' | 118.7° | 120.2° |
| O4' | C4' | C5' | H4' | 119.7° | 120.2° |
| O4' | C4' | C3' | C2' | 172.2° | 176.9° |
| O4' | C4' | C5' | C6' | 64.3° | 62.5° |
| O4' | C4' | C5' | O5' | 174.6° | 177.5° |
| C4' | O4' | C1 | H1 | 42.3° | 54.9° |
| O4' | C4' | C3' | H3' | 52.0° | 57.0° |
| O4' | C4' | C5' | H5' | 54.9° | 57.5° |
| C3' | C4' | C5' | H4' | 118.0° | 119.8° |
| C4' | C3' | C2' | H3' | 120.1° | 119.9° |
| C4' | C3' | C2' | O2' | 165.8° | 176.9° |
| C4' | C3' | C2' | C1' | 51.7° | 57.0° |
| C3' | C4' | C5' | C6' | 173.4° | 177.6° |
| C3' | C4' | C5' | O5' | 52.3° | 57.6° |
| C4' | C3' | C2' | H2' | 67.8° | 63.0° |
| C3' | C4' | C5' | H5' | 67.5° | 62.5° |
| C4' | C3' | O3' | HO3' | 180.0° | 179.6° |
| C5' | C4' | C3' | C2' | 48.9° | 56.9° |
| C4' | C5' | C6' | O5' | 121.6° | 120.0° |
| C4' | C5' | C6' | H5' | 119.2° | 120.0° |
| C4' | C5' | O5' | H5' | 119.0° | 120.0° |
| C4' | C5' | O5' | C1' | 63.3° | 61.1° |
| C5' | C4' | C3' | H3' | 71.3° | 63.0° |
| C4' | C5' | C6' | H6'2 | 61.7° | 54.9° |
| C4' | C5' | C6' | H6'1 | 178.4° | 65.1° |
| C3' | C2' | O2' | C1' | 114.8° | 119.7° |
| C3' | C2' | O2' | H2' | 125.6° | 120.1° |
| C3' | C2' | C1' | H2' | 119.9° | 119.9° |
| C3' | C2' | C1' | O5' | 62.1° | 57.6° |
| C3' | C2' | C1' | O1' | 178.8° | 177.6° |
| C3' | C2' | C1' | H1' | 59.8° | 62.4° |
| C2' | C3' | C4' | H4' | 69.1° | 62.9° |
| C3' | C2' | O2' | HO2' | 180.0° | 179.7° |
| C2' | C3' | O3' | HO3' | 56.0° | 60.0° |
| O2' | C2' | C1' | H2' | 120.8° | 120.2° |
| O2' | C2' | C1' | O5' | 178.6° | 177.5° |
| O2' | C2' | C1' | O1' | 61.9° | 62.5° |
| O2' | C2' | C1' | H1' | 59.6° | 57.5° |
| O2' | C2' | C3' | H3' | 45.7° | 57.0° |
| C2' | C1' | O5' | C5' | 69.7° | 61.1° |
| C2' | C1' | O5' | O1' | 119.1° | 120.0° |
| C2' | C1' | O5' | H1' | 120.8° | 120.0° |
| C2' | C1' | O1' | H1' | 120.5° | 120.0° |
| C1' | C2' | C3' | H3' | 68.4° | 62.9° |
| C2' | C1' | O1' | HO1' | 180.0° | 180.0° |
| C1' | C2' | O2' | HO2' | 65.1° | 60.0° |
| C6' | C5' | O5' | H5' | 118.4° | 120.0° |
| C6' | C5' | O5' | C1' | 174.1° | 178.9° |
| C6' | C5' | C4' | H4' | 55.4° | 57.8° |
| C5' | C6' | H6'2 | H6'1 | 120.0° | 120.0° |
| C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
| C5' | O5' | C1' | O1' | 171.2° | 178.9° |
| C5' | O5' | C1' | H1' | 51.1° | 58.9° |
| O5' | C5' | C4' | H4' | 65.7° | 62.2° |
| O5' | C5' | C6' | H6'2 | 176.7° | 175.0° |
| O5' | C5' | C6' | H6'1 | 56.7° | 55.0° |
| O5' | C1' | O1' | H1' | 120.2° | 120.0° |
| O5' | C1' | C2' | H2' | 57.8° | 62.3° |
| C1' | O5' | C5' | H5' | 55.7° | 58.9° |
| O5' | C1' | O1' | HO1' | 60.7° | 60.1° |
| O1' | C1' | C2' | H2' | 58.9° | 57.7° |
| H1 | C1 | C2 | H2 | 173.0° | 177.6° |
| H2 | C2 | C3 | H3 | 174.0° | 177.1° |
| H2 | C2 | O2 | HO2 | 56.6° | 60.1° |
| H3 | C3 | C4 | H4 | 174.8° | 177.2° |
| H3 | C3 | O3 | HO3 | 58.3° | 60.2° |
| H4 | C4 | C5 | H5 | 179.0° | 177.8° |
| H4 | C4 | O4 | HO4 | 51.2° | 59.8° |
| H5 | C5 | C6 | H62 | 55.9° | 65.0° |
| H5 | C5 | C6 | H61 | 63.7° | 174.9° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H61 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H1' | C1' | C2' | H2' | 179.6° | 177.7° |
| H1' | C1' | O1' | HO1' | 59.5° | 59.9° |
| H2' | C2' | C3' | H3' | 172.0° | 177.2° |
| H2' | C2' | O2' | HO2' | 54.4° | 60.2° |
| H3' | C3' | C4' | H4' | 170.7° | 177.2° |
| H3' | C3' | O3' | HO3' | 61.1° | 60.2° |
| H4' | C4' | C5' | H5' | 174.5° | 177.7° |
| H5' | C5' | C6' | H6'2 | 57.5° | 65.0° |
| H5' | C5' | C6' | H6'1 | 62.5° | 175.0° |
| H6'2 | C6' | O6' | HO6' | 60.0° | 60.0° |
| H6'1 | C6' | O6' | HO6' | 60.0° | 60.0° |
