X6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| N2 | C2 | sing | 1.47Å | 1.48Å | |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| O1 | C1 | sing | 1.43Å | 1.37Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | HN21 | sing | 1.01Å | 1.00Å | |
| N2 | HN22 | sing | 1.01Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 108.1° | 109.6° |
| O3 | C3 | C2 | 111.6° | 109.5° |
| O3 | C3 | H3 | 109.4° | 109.7° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | C2 | 110.4° | 109.0° |
| C3 | C4 | O4 | 107.6° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.2° |
| C3 | C4 | H4 | 109.2° | 109.6° |
| C4 | C3 | H3 | 108.8° | 109.6° |
| C3 | C2 | N2 | 111.4° | 109.5° |
| C3 | C2 | C1 | 111.0° | 109.1° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| O4 | C4 | C5 | 108.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C4 | H4 | 111.1° | 109.6° |
| C4 | C5 | C6 | 108.2° | 109.5° |
| C4 | C5 | O5 | 112.3° | 109.4° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | H5 | 110.7° | 109.5° |
| N2 | C2 | C1 | 109.1° | 109.5° |
| N2 | C2 | H2 | 109.2° | 109.6° |
| C2 | N2 | HN21 | 109.5° | 111.0° |
| C2 | N2 | HN22 | 109.5° | 111.0° |
| O6 | C6 | C5 | 108.9° | 109.5° |
| O6 | C6 | H61 | 109.6° | 109.4° |
| O6 | C6 | H62 | 109.6° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 102.3° | 109.5° |
| C6 | C5 | H5 | 110.8° | 109.5° |
| C5 | C6 | H61 | 109.6° | 109.5° |
| C5 | C6 | H62 | 109.6° | 109.5° |
| C5 | O5 | C1 | 117.8° | 114.1° |
| O5 | C5 | H5 | 112.2° | 109.4° |
| C2 | C1 | O1 | 110.3° | 109.5° |
| C2 | C1 | O5 | 110.0° | 109.4° |
| C1 | C2 | H2 | 107.9° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| O1 | C1 | O5 | 105.7° | 109.5° |
| O1 | C1 | H1 | 111.5° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O5 | C1 | H1 | 110.8° | 109.4° |
| HN21 | N2 | HN22 | 109.4° | 111.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 122.3° | 119.8° |
| O3 | C3 | C4 | H3 | 118.7° | 120.3° |
| O3 | C3 | C2 | H3 | 120.6° | 120.3° |
| O3 | C3 | C4 | O4 | 55.2° | 56.9° |
| O3 | C3 | C4 | C5 | 174.0° | 176.8° |
| O3 | C3 | C2 | N2 | 65.0° | 63.2° |
| O3 | C3 | C2 | C1 | 173.2° | 176.9° |
| O3 | C3 | C4 | H4 | 65.5° | 63.3° |
| O3 | C3 | C2 | H2 | 54.9° | 57.0° |
| C4 | C3 | C2 | H3 | 119.1° | 119.9° |
| C3 | C4 | O4 | C5 | 120.4° | 119.7° |
| C3 | C4 | O4 | H4 | 119.5° | 120.2° |
| C3 | C4 | C5 | H4 | 120.6° | 119.9° |
| C4 | C3 | C2 | N2 | 174.7° | 176.9° |
| C3 | C4 | C5 | C6 | 162.8° | 177.6° |
| C3 | C4 | C5 | O5 | 50.7° | 57.6° |
| C4 | C3 | C2 | C1 | 52.9° | 57.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.7° |
| C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 65.3° | 62.9° |
| C3 | C4 | C5 | H5 | 75.6° | 62.3° |
| C2 | C3 | C4 | O4 | 67.1° | 62.9° |
| C2 | C3 | C4 | C5 | 51.7° | 57.0° |
| C3 | C2 | N2 | C1 | 122.9° | 119.6° |
| C3 | C2 | N2 | H2 | 119.4° | 120.2° |
| C3 | C2 | C1 | H2 | 118.4° | 119.9° |
| C3 | C2 | C1 | O1 | 63.4° | 62.4° |
| C3 | C2 | C1 | O5 | 52.8° | 57.6° |
| C2 | C3 | C4 | H4 | 172.2° | 176.9° |
| C2 | C3 | O3 | HO3 | 58.4° | 60.5° |
| C3 | C2 | N2 | HN21 | 180.0° | 180.0° |
| C3 | C2 | N2 | HN22 | 60.0° | 56.1° |
| C3 | C2 | C1 | H1 | 174.2° | 177.6° |
| O4 | C4 | C5 | H4 | 121.3° | 120.2° |
| O4 | C4 | C5 | C6 | 44.7° | 57.7° |
| O4 | C4 | C5 | O5 | 67.5° | 62.3° |
| O4 | C4 | C3 | H3 | 173.9° | 177.3° |
| O4 | C4 | C5 | H5 | 166.3° | 177.8° |
| C4 | C5 | C6 | O6 | 82.4° | 175.0° |
| C4 | C5 | C6 | O5 | 118.7° | 119.9° |
| C4 | C5 | C6 | H5 | 121.6° | 120.1° |
| C4 | C5 | O5 | H5 | 125.4° | 120.0° |
| C4 | C5 | O5 | C1 | 54.4° | 61.1° |
| C5 | C4 | O4 | HO4 | 59.6° | 60.0° |
| C5 | C4 | C3 | H3 | 67.3° | 62.8° |
| C4 | C5 | C6 | H61 | 157.7° | 55.1° |
| C4 | C5 | C6 | H62 | 37.5° | 65.0° |
| N2 | C2 | C1 | H2 | 118.5° | 120.2° |
| N2 | C2 | C1 | O1 | 59.7° | 57.5° |
| N2 | C2 | C1 | O5 | 175.9° | 177.5° |
| N2 | C2 | C3 | H3 | 55.6° | 57.0° |
| C2 | N2 | HN21 | HN22 | 120.0° | 124.0° |
| N2 | C2 | C1 | H1 | 62.7° | 62.6° |
| O6 | C6 | C5 | H61 | 119.9° | 119.9° |
| O6 | C6 | C5 | H62 | 119.9° | 120.0° |
| O6 | C6 | C5 | O5 | 159.0° | 65.0° |
| O6 | C6 | C5 | H5 | 39.2° | 54.9° |
| O6 | C6 | H61 | H62 | 120.3° | 120.0° |
| C6 | C5 | O5 | H5 | 118.8° | 120.0° |
| C6 | C5 | O5 | C1 | 170.2° | 178.9° |
| C6 | C5 | C4 | H4 | 76.6° | 62.5° |
| C5 | C6 | H61 | H62 | 120.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | O5 | C1 | C2 | 54.7° | 61.1° |
| C5 | O5 | C1 | O1 | 64.4° | 58.9° |
| O5 | C5 | C4 | H4 | 171.2° | 177.5° |
| C5 | O5 | C1 | H1 | 174.7° | 178.9° |
| O5 | C5 | C6 | H61 | 39.1° | 175.0° |
| O5 | C5 | C6 | H62 | 81.1° | 55.0° |
| C2 | C1 | O1 | O5 | 118.9° | 120.0° |
| C2 | C1 | O1 | H1 | 120.7° | 120.0° |
| C2 | C1 | O5 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 66.2° | 62.8° |
| C1 | C2 | N2 | HN21 | 57.1° | 60.4° |
| C1 | C2 | N2 | HN22 | 177.1° | 175.7° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| O1 | C1 | O5 | H1 | 120.9° | 120.0° |
| O1 | C1 | C2 | H2 | 178.2° | 177.7° |
| O5 | C1 | C2 | H2 | 65.6° | 62.3° |
| O5 | C1 | O1 | HO1 | 61.1° | 60.0° |
| C1 | O5 | C5 | H5 | 71.0° | 58.9° |
| HO4 | O4 | C4 | H4 | 60.5° | 60.1° |
| H4 | C4 | C3 | H3 | 53.3° | 57.0° |
| H4 | C4 | C5 | H5 | 45.0° | 57.6° |
| H3 | C3 | O3 | HO3 | 61.7° | 59.7° |
| H3 | C3 | C2 | H2 | 175.6° | 177.2° |
| H2 | C2 | N2 | HN21 | 60.6° | 59.8° |
| H2 | C2 | N2 | HN22 | 59.4° | 64.1° |
| H2 | C2 | C1 | H1 | 55.8° | 57.7° |
| H1 | C1 | O1 | HO1 | 59.3° | 60.0° |
| H5 | C5 | C6 | H61 | 80.7° | 65.0° |
| H5 | C5 | C6 | H62 | 159.1° | 174.9° |
| H61 | C6 | O6 | HO6 | 60.1° | 60.1° |
| H62 | C6 | O6 | HO6 | 60.1° | 60.0° |
