Obsolete: MAL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.39Å | |
| O5 | C1 | sing | 1.43Å | 1.45Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6' | O6' | sing | 1.43Å | 1.40Å | |
| C6' | C5' | sing | 1.53Å | 1.51Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| O5' | C1' | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | O1 | sing | 1.43Å | 1.42Å | |
| C4' | C3' | sing | 1.53Å | 1.51Å | |
| C2' | C1' | sing | 1.53Å | 1.52Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| C1' | O1' | sing | 1.43Å | 1.38Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C3 | O3 | 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) |
| O6 | C6 | C5 | 110.0° | 109.5° |
| O6 | C6 | H62 | 109.4° | 109.5° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C1 | O5 | C5 | 114.2° | 114.1° |
| O5 | C1 | O1 | 110.4° | 109.5° |
| O5 | C1 | C2 | 110.1° | 109.4° |
| O5 | C1 | H1 | 109.7° | 109.5° |
| O5 | C5 | C6 | 109.6° | 109.5° |
| O5 | C5 | C4 | 110.9° | 109.5° |
| O5 | C5 | H5 | 109.6° | 109.5° |
| C6 | C5 | C4 | 109.3° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.4° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.4° |
| O6' | C6' | C5' | 109.7° | 109.5° |
| O6' | C6' | H6'2 | 109.4° | 109.5° |
| O6' | C6' | H6'1 | 109.4° | 109.4° |
| C6' | O6' | HO6' | 109.5° | 114.0° |
| C6' | C5' | O5' | 108.2° | 109.5° |
| C6' | C5' | C4' | 110.8° | 109.5° |
| C6' | C5' | H5' | 109.0° | 109.5° |
| C5' | C6' | H6'2 | 109.4° | 109.5° |
| C5' | C6' | H6'1 | 109.4° | 109.5° |
| C5' | O5' | C1' | 115.9° | 114.1° |
| O5' | C5' | C4' | 110.2° | 109.4° |
| O5' | C5' | H5' | 109.9° | 109.5° |
| O5' | C1' | C2' | 111.7° | 109.4° |
| O5' | C1' | O1' | 109.2° | 109.5° |
| O5' | C1' | H1' | 109.0° | 109.5° |
| O1 | C1 | C2 | 108.0° | 109.5° |
| C1 | O1 | C4' | 117.5° | 114.0° |
| O1 | C1 | H1 | 109.8° | 109.5° |
| C1 | C2 | O2 | 111.0° | 109.5° |
| C1 | C2 | C3 | 109.6° | 109.2° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| C5' | C4' | O1 | 109.6° | 109.5° |
| C5' | C4' | C3' | 111.0° | 109.2° |
| C5' | C4' | H4' | 108.8° | 109.6° |
| C4' | C5' | H5' | 108.7° | 109.5° |
| O1 | C4' | C3' | 108.3° | 109.5° |
| O1 | C4' | H4' | 110.2° | 109.5° |
| C4' | C3' | C2' | 111.1° | 109.0° |
| C4' | C3' | O3' | 109.9° | 109.6° |
| C4' | C3' | H3' | 108.5° | 109.6° |
| C3' | C4' | H4' | 108.9° | 109.6° |
| C1' | C2' | C3' | 112.0° | 109.2° |
| C1' | C2' | O2' | 109.5° | 109.5° |
| C2' | C1' | O1' | 109.3° | 109.5° |
| C2' | C1' | H1' | 107.8° | 109.5° |
| C1' | C2' | H2' | 108.8° | 109.6° |
| C3' | C2' | O2' | 107.4° | 109.5° |
| C2' | C3' | O3' | 109.3° | 109.5° |
| C3' | C2' | H2' | 108.8° | 109.5° |
| C2' | C3' | H3' | 108.3° | 109.6° |
| O2' | C2' | H2' | 110.4° | 109.5° |
| C2' | O2' | HO2' | 109.5° | 114.1° |
| C5 | C4 | C3 | 110.8° | 109.1° |
| C5 | C4 | O4 | 108.8° | 109.6° |
| C5 | C4 | H4 | 108.0° | 109.6° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| O3' | C3' | H3' | 109.8° | 109.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O1' | C1' | H1' | 109.7° | 109.4° |
| C1' | O1' | HO1' | 109.5° | 114.0° |
| O2 | C2 | C3 | 110.1° | 109.6° |
| O2 | C2 | H2 | 109.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | C4 | 109.4° | 109.1° |
| C2 | C3 | O3 | 109.4° | 109.6° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C3 | C4 | O4 | 111.6° | 109.5° |
| C4 | C3 | O3 | 110.7° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.6° |
| C3 | C4 | H4 | 108.0° | 109.5° |
| O4 | C4 | H4 | 109.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O3 | C3 | H3 | 110.2° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| H6'2 | C6' | H6'1 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | O5 | 59.1° | 65.0° |
| O6 | C6 | C5 | H62 | 120.1° | 120.1° |
| O6 | C6 | C5 | H61 | 120.1° | 120.0° |
| O6 | C6 | C5 | C4 | 179.2° | 175.0° |
| O6 | C6 | C5 | H5 | 60.7° | 55.0° |
| O6 | C6 | H62 | H61 | 119.8° | 120.0° |
| C1 | O5 | C5 | C6 | 176.8° | 178.9° |
| O5 | C1 | O1 | C2 | 120.4° | 119.9° |
| O5 | C1 | O1 | H1 | 121.0° | 120.0° |
| O5 | C1 | C2 | H1 | 120.2° | 120.0° |
| O5 | C1 | O1 | C4' | 104.0° | 72.7° |
| C1 | O5 | C5 | C4 | 56.1° | 61.1° |
| O5 | C1 | C2 | O2 | 179.5° | 177.5° |
| O5 | C1 | C2 | C3 | 58.7° | 57.6° |
| O5 | C1 | C2 | H2 | 59.1° | 62.3° |
| C1 | O5 | C5 | H5 | 63.8° | 58.9° |
| O5 | C5 | C6 | C4 | 121.7° | 120.0° |
| O5 | C5 | C6 | H5 | 119.8° | 120.0° |
| C5 | O5 | C1 | O1 | 60.0° | 58.9° |
| C5 | O5 | C1 | C2 | 59.1° | 61.1° |
| O5 | C5 | C4 | H5 | 120.5° | 120.0° |
| O5 | C5 | C4 | C3 | 53.1° | 57.6° |
| O5 | C5 | C4 | O4 | 176.1° | 177.5° |
| C5 | O5 | C1 | H1 | 178.8° | 178.9° |
| O5 | C5 | C4 | H4 | 65.1° | 62.3° |
| O5 | C5 | C6 | H62 | 61.0° | 174.9° |
| O5 | C5 | C6 | H61 | 179.2° | 54.9° |
| C6 | C5 | C4 | H5 | 118.6° | 119.9° |
| C6 | C5 | C4 | C3 | 174.0° | 177.6° |
| C6 | C5 | C4 | O4 | 63.0° | 62.5° |
| C6 | C5 | C4 | H4 | 55.8° | 57.7° |
| C5 | C6 | H62 | H61 | 119.8° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6' | C6' | C5' | H6'2 | 120.0° | 120.0° |
| O6' | C6' | C5' | H6'1 | 120.0° | 120.0° |
| O6' | C6' | C5' | O5' | 72.0° | 63.5° |
| O6' | C6' | C5' | C4' | 167.2° | 176.6° |
| O6' | C6' | C5' | H5' | 47.5° | 56.5° |
| O6' | C6' | H6'2 | H6'1 | 119.9° | 119.9° |
| C6' | C5' | O5' | C4' | 121.3° | 120.0° |
| C6' | C5' | O5' | H5' | 118.9° | 120.0° |
| C6' | C5' | O5' | C1' | 178.0° | 178.9° |
| C6' | C5' | C4' | H5' | 119.8° | 120.1° |
| C6' | C5' | C4' | O1 | 65.7° | 62.5° |
| C6' | C5' | C4' | C3' | 174.7° | 177.6° |
| C6' | C5' | C4' | H4' | 54.9° | 57.6° |
| C5' | C6' | H6'2 | H6'1 | 119.9° | 120.0° |
| C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
| O5' | C5' | C4' | H5' | 120.5° | 120.0° |
| O5' | C5' | C4' | O1 | 174.6° | 177.5° |
| O5' | C5' | C4' | C3' | 55.0° | 57.6° |
| C5' | O5' | C1' | C2' | 54.2° | 61.2° |
| C5' | O5' | C1' | O1' | 66.9° | 58.8° |
| C5' | O5' | C1' | H1' | 173.3° | 178.8° |
| O5' | C5' | C4' | H4' | 64.8° | 62.4° |
| O5' | C5' | C6' | H6'2 | 48.1° | 176.5° |
| O5' | C5' | C6' | H6'1 | 168.0° | 56.5° |
| C1' | O5' | C5' | C4' | 56.7° | 61.2° |
| O5' | C1' | C2' | O1' | 121.0° | 120.0° |
| O5' | C1' | C2' | H1' | 119.8° | 120.0° |
| O5' | C1' | C2' | C3' | 49.7° | 57.6° |
| O5' | C1' | C2' | O2' | 168.8° | 177.5° |
| O5' | C1' | O1' | H1' | 119.4° | 120.0° |
| O5' | C1' | C2' | H2' | 70.5° | 62.3° |
| C1' | O5' | C5' | H5' | 63.1° | 58.8° |
| O5' | C1' | O1' | HO1' | 180.0° | 60.0° |
| O1 | C1 | C2 | H1 | 119.2° | 120.0° |
| C1 | O1 | C4' | C5' | 137.5° | 154.5° |
| C1 | O1 | C4' | C3' | 101.3° | 85.8° |
| O1 | C1 | C2 | O2 | 59.9° | 57.6° |
| O1 | C1 | C2 | C3 | 61.9° | 62.4° |
| O1 | C1 | C2 | H2 | 179.7° | 177.7° |
| C1 | O1 | C4' | H4' | 17.8° | 34.4° |
| C2 | C1 | O1 | C4' | 135.6° | 167.4° |
| C1 | C2 | O2 | C3 | 121.6° | 119.7° |
| C1 | C2 | O2 | H2 | 119.7° | 120.1° |
| C1 | C2 | C3 | H2 | 118.0° | 119.9° |
| C1 | C2 | C3 | C4 | 57.2° | 57.0° |
| C1 | C2 | C3 | O3 | 178.6° | 176.9° |
| C1 | C2 | C3 | H3 | 61.2° | 63.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C5' | C4' | O1 | C3' | 121.2° | 119.7° |
| C5' | C4' | O1 | H4' | 119.7° | 120.1° |
| C5' | C4' | C3' | H4' | 119.8° | 120.0° |
| C5' | C4' | C3' | C2' | 53.3° | 57.0° |
| C5' | C4' | C3' | O3' | 174.3° | 176.9° |
| C5' | C4' | C3' | H3' | 65.7° | 62.9° |
| C4' | C5' | C6' | H6'2 | 72.8° | 56.6° |
| C4' | C5' | C6' | H6'1 | 47.1° | 63.4° |
| O1 | C4' | C3' | H4' | 119.9° | 120.1° |
| O1 | C4' | C3' | C2' | 173.6° | 176.9° |
| O1 | C4' | C3' | O3' | 65.4° | 63.2° |
| C4' | O1 | C1 | H1 | 17.0° | 47.3° |
| O1 | C4' | C3' | H3' | 54.7° | 57.0° |
| O1 | C4' | C5' | H5' | 54.1° | 57.6° |
| C4' | C3' | C2' | C1' | 50.6° | 57.0° |
| C4' | C3' | C2' | O3' | 121.4° | 119.9° |
| C4' | C3' | C2' | H3' | 119.0° | 119.9° |
| C4' | C3' | C2' | O2' | 170.8° | 176.9° |
| C4' | C3' | O3' | H3' | 119.2° | 120.3° |
| C4' | C3' | C2' | H2' | 69.7° | 63.0° |
| C3' | C4' | C5' | H5' | 65.5° | 62.3° |
| C4' | C3' | O3' | HO3' | 180.0° | 179.6° |
| C1' | C2' | C3' | O2' | 120.3° | 119.9° |
| C1' | C2' | C3' | H2' | 120.3° | 120.0° |
| C1' | C2' | O2' | H2' | 119.7° | 120.2° |
| C1' | C2' | C3' | O3' | 171.9° | 176.9° |
| C2' | C1' | O1' | H1' | 118.0° | 120.0° |
| C1' | C2' | C3' | H3' | 68.5° | 62.9° |
| C2' | C1' | O1' | HO1' | 57.4° | 180.0° |
| C1' | C2' | O2' | HO2' | 180.0° | 60.0° |
| C3' | C2' | O2' | H2' | 118.4° | 120.1° |
| C2' | C3' | O3' | H3' | 118.7° | 120.2° |
| C3' | C2' | C1' | O1' | 71.3° | 62.4° |
| C3' | C2' | C1' | H1' | 169.5° | 177.7° |
| C2' | C3' | C4' | H4' | 66.5° | 63.0° |
| C3' | C2' | O2' | HO2' | 58.2° | 179.7° |
| C2' | C3' | O3' | HO3' | 57.9° | 60.0° |
| O2' | C2' | C3' | O3' | 67.8° | 63.2° |
| O2' | C2' | C1' | O1' | 47.7° | 57.5° |
| O2' | C2' | C1' | H1' | 71.4° | 62.4° |
| O2' | C2' | C3' | H3' | 51.8° | 57.0° |
| C5 | C4 | C3 | C2 | 54.4° | 57.0° |
| C5 | C4 | C3 | O4 | 121.4° | 119.9° |
| C5 | C4 | C3 | H4 | 118.2° | 120.0° |
| C5 | C4 | O4 | H4 | 117.9° | 120.2° |
| C5 | C4 | C3 | O3 | 175.0° | 176.9° |
| C5 | C4 | C3 | H3 | 63.9° | 63.0° |
| C4 | C5 | C6 | H62 | 60.7° | 54.9° |
| C4 | C5 | C6 | H61 | 59.1° | 65.1° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
| O3' | C3' | C2' | H2' | 51.7° | 57.0° |
| O3' | C3' | C4' | H4' | 54.5° | 56.9° |
| O1' | C1' | C2' | H2' | 168.4° | 177.7° |
| O2 | C2 | C3 | H2 | 119.7° | 120.2° |
| O2 | C2 | C3 | C4 | 179.5° | 176.9° |
| O2 | C2 | C3 | O3 | 59.1° | 63.2° |
| O2 | C2 | C1 | H1 | 59.3° | 62.5° |
| O2 | C2 | C3 | H3 | 61.2° | 56.9° |
| C2 | C3 | C4 | O3 | 120.6° | 119.9° |
| C2 | C3 | C4 | H3 | 118.3° | 119.9° |
| C2 | C3 | C4 | O4 | 175.8° | 176.9° |
| C2 | C3 | O3 | H3 | 119.3° | 120.2° |
| C3 | C2 | C1 | H1 | 178.9° | 177.6° |
| C2 | C3 | C4 | H4 | 63.7° | 63.0° |
| C3 | C2 | O2 | HO2 | 58.4° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
| C3 | C4 | O4 | H4 | 119.5° | 120.1° |
| C4 | C3 | O3 | H3 | 120.1° | 120.2° |
| C4 | C3 | C2 | H2 | 60.8° | 62.9° |
| C3 | C4 | C5 | H5 | 67.4° | 62.5° |
| C4 | C3 | O3 | HO3 | 59.4° | 179.5° |
| C3 | C4 | O4 | HO4 | 57.5° | 60.0° |
| O4 | C4 | C3 | O3 | 63.6° | 63.2° |
| O4 | C4 | C3 | H3 | 57.5° | 57.0° |
| O4 | C4 | C5 | H5 | 55.6° | 57.4° |
| O3 | C3 | C2 | H2 | 60.6° | 57.0° |
| O3 | C3 | C4 | H4 | 56.9° | 56.9° |
| H1 | C1 | C2 | H2 | 61.1° | 57.7° |
| H2 | C2 | C3 | H3 | 179.2° | 177.1° |
| H2 | C2 | O2 | HO2 | 60.3° | 60.1° |
| H3 | C3 | C4 | H4 | 177.9° | 177.1° |
| H3 | C3 | O3 | HO3 | 60.8° | 60.2° |
| H4 | C4 | C5 | H5 | 174.5° | 177.6° |
| H4 | C4 | O4 | HO4 | 62.1° | 60.1° |
| H5 | C5 | C6 | H62 | 179.3° | 65.1° |
| H5 | C5 | C6 | H61 | 59.4° | 175.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H61 | C6 | O6 | HO6 | 59.9° | 60.0° |
| H1' | C1' | C2' | H2' | 49.3° | 57.7° |
| H1' | C1' | O1' | HO1' | 60.6° | 60.0° |
| H2' | C2' | C3' | H3' | 171.3° | 177.2° |
| H2' | C2' | O2' | HO2' | 60.3° | 60.2° |
| H3' | C3' | C4' | H4' | 174.6° | 177.1° |
| H3' | C3' | O3' | HO3' | 60.8° | 60.1° |
| H4' | C4' | C5' | H5' | 174.6° | 177.6° |
| H5' | C5' | C6' | H6'2 | 167.6° | 63.5° |
| H5' | C5' | C6' | H6'1 | 72.5° | 176.5° |
| H6'2 | C6' | O6' | HO6' | 60.0° | 60.0° |
| H6'1 | C6' | O6' | HO6' | 60.0° | 60.0° |
