6MJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| O3 | C3 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| O1 | C01 | sing | 1.43Å | 1.41Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.40Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O5 | C5 | sing | 1.43Å | 1.41Å | |
| C01 | H1A | sing | 1.09Å | 1.10Å | |
| C01 | H2A | sing | 1.09Å | 1.10Å | |
| C01 | H3A | sing | 1.09Å | 1.10Å | |
| 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 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 106.6° | 109.5° |
| O2 | C2 | C1 | 105.7° | 109.5° |
| O2 | C2 | H2 | 112.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O3 | C3 | C2 | 108.1° | 109.5° |
| O3 | C3 | C4 | 106.9° | 109.6° |
| O3 | C3 | H3 | 112.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | C1 | 111.1° | 109.2° |
| C2 | C3 | C4 | 109.2° | 109.0° |
| C3 | C2 | H2 | 110.5° | 109.5° |
| C2 | C3 | H3 | 110.1° | 109.6° |
| C2 | C1 | O1 | 107.4° | 109.5° |
| C2 | C1 | O5 | 114.1° | 109.4° |
| C2 | C1 | H1 | 107.9° | 109.5° |
| C1 | C2 | H2 | 110.2° | 109.6° |
| C01 | O1 | C1 | 114.0° | 114.0° |
| O1 | C01 | H1A | 109.5° | 109.5° |
| O1 | C01 | H2A | 109.5° | 109.5° |
| O1 | C01 | H3A | 109.5° | 109.4° |
| O1 | C1 | O5 | 107.2° | 109.5° |
| O1 | C1 | H1 | 110.0° | 109.5° |
| C3 | C4 | O4 | 107.3° | 109.5° |
| C3 | C4 | C5 | 109.3° | 109.2° |
| C4 | C3 | H3 | 110.1° | 109.5° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| C1 | O5 | C5 | 119.2° | 114.1° |
| O5 | C1 | H1 | 110.1° | 109.5° |
| O4 | C4 | C5 | 109.4° | 109.5° |
| O4 | C4 | H4 | 111.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 114.8° | 109.4° |
| C5 | C4 | H4 | 109.5° | 109.6° |
| C4 | C5 | H51 | 108.1° | 109.5° |
| C4 | C5 | H52 | 108.1° | 109.5° |
| O5 | C5 | H51 | 108.1° | 109.5° |
| O5 | C5 | H52 | 108.1° | 109.5° |
| H1A | C01 | H2A | 109.5° | 109.5° |
| H1A | C01 | H3A | 109.5° | 109.4° |
| H2A | C01 | H3A | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | O3 | 74.7° | 63.2° |
| O2 | C2 | C3 | C1 | 114.6° | 119.9° |
| O2 | C2 | C3 | H2 | 122.7° | 120.1° |
| O2 | C2 | C1 | H2 | 122.0° | 120.1° |
| O2 | C2 | C1 | O1 | 78.6° | 62.5° |
| O2 | C2 | C3 | C4 | 169.3° | 176.9° |
| O2 | C2 | C1 | O5 | 162.7° | 177.5° |
| O2 | C2 | C1 | H1 | 40.0° | 57.6° |
| O2 | C2 | C3 | H3 | 48.3° | 57.0° |
| O3 | C3 | C2 | C4 | 116.0° | 119.9° |
| O3 | C3 | C2 | H3 | 123.0° | 120.2° |
| O3 | C3 | C2 | C1 | 170.7° | 176.9° |
| O3 | C3 | C4 | H3 | 122.2° | 120.2° |
| O3 | C3 | C4 | O4 | 69.1° | 63.3° |
| O3 | C3 | C4 | C5 | 172.4° | 176.9° |
| O3 | C3 | C2 | H2 | 48.0° | 56.9° |
| O3 | C3 | C4 | H4 | 52.4° | 56.9° |
| C3 | C2 | C1 | H2 | 122.9° | 120.0° |
| C3 | C2 | C1 | O1 | 166.2° | 177.6° |
| C2 | C3 | C4 | H3 | 121.0° | 119.9° |
| C3 | C2 | C1 | O5 | 47.5° | 57.6° |
| C2 | C3 | C4 | O4 | 174.1° | 176.9° |
| C2 | C3 | C4 | C5 | 55.6° | 57.0° |
| C3 | C2 | C1 | H1 | 75.2° | 62.3° |
| C2 | C3 | C4 | H4 | 64.4° | 63.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 179.9° |
| C3 | C2 | O2 | HO2 | 180.0° | 179.9° |
| C2 | C1 | O1 | C01 | 111.9° | 175.0° |
| C2 | C1 | O1 | O5 | 123.1° | 119.9° |
| C2 | C1 | O1 | H1 | 117.3° | 120.1° |
| C1 | C2 | C3 | C4 | 54.7° | 57.0° |
| C2 | C1 | O5 | H1 | 121.5° | 120.0° |
| C2 | C1 | O5 | C5 | 43.3° | 61.2° |
| C1 | C2 | C3 | H3 | 66.3° | 62.9° |
| C1 | C2 | O2 | HO2 | 61.8° | 60.2° |
| C01 | O1 | C1 | O5 | 125.0° | 65.1° |
| O1 | C01 | H1A | H2A | 120.0° | 120.1° |
| O1 | C01 | H1A | H3A | 120.0° | 119.9° |
| O1 | C01 | H2A | H3A | 120.0° | 119.9° |
| C01 | O1 | C1 | H1 | 5.3° | 55.0° |
| O1 | C1 | O5 | H1 | 119.7° | 120.1° |
| O1 | C1 | O5 | C5 | 162.1° | 178.9° |
| C1 | O1 | C01 | H1A | 180.0° | 180.0° |
| C1 | O1 | C01 | H2A | 60.0° | 59.9° |
| C1 | O1 | C01 | H3A | 60.0° | 60.1° |
| O1 | C1 | C2 | H2 | 43.4° | 57.6° |
| C3 | C4 | O4 | C5 | 118.4° | 119.7° |
| C3 | C4 | O4 | H4 | 120.1° | 120.2° |
| C3 | C4 | C5 | H4 | 120.1° | 120.0° |
| C3 | C4 | C5 | O5 | 50.7° | 57.6° |
| C4 | C3 | C2 | H2 | 68.0° | 63.0° |
| C3 | C4 | C5 | H51 | 70.0° | 62.4° |
| C3 | C4 | C5 | H52 | 171.5° | 177.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C3 | O3 | HO3 | 62.5° | 60.4° |
| C1 | O5 | C5 | C4 | 45.6° | 61.2° |
| O5 | C1 | C2 | H2 | 75.3° | 62.3° |
| C1 | O5 | C5 | H51 | 75.2° | 58.8° |
| C1 | O5 | C5 | H52 | 166.4° | 178.8° |
| O4 | C4 | C5 | H4 | 122.8° | 120.1° |
| O4 | C4 | C5 | O5 | 167.9° | 177.5° |
| O4 | C4 | C3 | H3 | 53.1° | 57.0° |
| O4 | C4 | C5 | H51 | 47.1° | 57.5° |
| O4 | C4 | C5 | H52 | 71.3° | 62.5° |
| C4 | C5 | O5 | H51 | 120.8° | 120.0° |
| C4 | C5 | O5 | H52 | 120.8° | 120.0° |
| C5 | C4 | C3 | H3 | 65.4° | 62.9° |
| C4 | C5 | H51 | H52 | 117.6° | 120.0° |
| C5 | C4 | O4 | HO4 | 61.6° | 60.3° |
| C5 | O5 | C1 | H1 | 78.2° | 58.8° |
| O5 | C5 | C4 | H4 | 69.3° | 62.3° |
| O5 | C5 | H51 | H52 | 117.6° | 120.1° |
| H1A | C01 | H2A | H3A | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 162.0° | 177.7° |
| H2 | C2 | C3 | H3 | 171.0° | 177.2° |
| H2 | C2 | O2 | HO2 | 58.6° | 59.9° |
| H3 | C3 | C4 | H4 | 174.6° | 177.1° |
| H3 | C3 | O3 | HO3 | 58.3° | 59.8° |
| H4 | C4 | C5 | H51 | 169.9° | 177.7° |
| H4 | C4 | C5 | H52 | 51.5° | 57.6° |
| H4 | C4 | O4 | HO4 | 59.9° | 59.9° |
