95Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C5 | O5 | sing | 1.43Å | 1.48Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.47Å | |
| C2 | N2 | sing | 1.47Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| O5 | C1 | sing | 1.43Å | 1.49Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | 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 | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | 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) |
| O6 | C6 | C5 | 110.6° | 109.5° |
| O6 | C6 | H61 | 109.2° | 109.5° |
| O6 | C6 | H62 | 109.2° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C4 | C5 | 108.3° | 109.5° |
| O4 | C4 | C3 | 109.7° | 109.5° |
| O4 | C4 | H4 | 109.4° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | C4 | 111.9° | 109.5° |
| C6 | C5 | O5 | 111.6° | 109.5° |
| C6 | C5 | H5 | 107.1° | 109.5° |
| C5 | C6 | H61 | 109.2° | 109.5° |
| C5 | C6 | H62 | 109.2° | 109.5° |
| C5 | C4 | C3 | 112.7° | 109.2° |
| C4 | C5 | O5 | 112.1° | 109.4° |
| C5 | C4 | H4 | 108.0° | 109.5° |
| C4 | C5 | H5 | 106.6° | 109.5° |
| C4 | C3 | O3 | 108.7° | 109.6° |
| C4 | C3 | C2 | 112.8° | 109.0° |
| C4 | C3 | H3 | 108.6° | 109.6° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C5 | O5 | C1 | 114.7° | 114.1° |
| O5 | C5 | H5 | 107.3° | 109.5° |
| O3 | C3 | C2 | 108.9° | 109.5° |
| O3 | C3 | H3 | 108.9° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | N2 | 112.3° | 109.5° |
| C3 | C2 | C1 | 109.8° | 109.1° |
| C3 | C2 | H2 | 108.4° | 109.6° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| N2 | C2 | C1 | 110.0° | 109.5° |
| N2 | C2 | H2 | 108.7° | 109.5° |
| C2 | N2 | HN21 | 109.5° | 111.0° |
| C2 | N2 | HN22 | 109.5° | 111.0° |
| C2 | C1 | O5 | 111.8° | 109.5° |
| C2 | C1 | O1 | 111.5° | 109.5° |
| C2 | C1 | H1 | 107.5° | 109.5° |
| C1 | C2 | H2 | 107.5° | 109.5° |
| O5 | C1 | O1 | 108.1° | 109.5° |
| O5 | C1 | H1 | 108.2° | 109.5° |
| O1 | C1 | H1 | 109.6° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| HN21 | N2 | HN22 | 109.5° | 111.0° |
| H61 | C6 | H62 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 120.2° | 120.0° |
| O6 | C6 | C5 | H62 | 120.2° | 120.0° |
| O6 | C6 | C5 | C4 | 63.5° | 175.0° |
| O6 | C6 | C5 | O5 | 170.1° | 65.1° |
| O6 | C6 | C5 | H5 | 52.9° | 55.0° |
| O6 | C6 | H61 | H62 | 119.5° | 120.0° |
| O4 | C4 | C5 | C6 | 71.8° | 62.5° |
| O4 | C4 | C5 | C3 | 121.5° | 119.9° |
| O4 | C4 | C5 | H4 | 118.4° | 120.2° |
| O4 | C4 | C3 | H4 | 119.5° | 120.1° |
| O4 | C4 | C5 | O5 | 162.0° | 177.5° |
| O4 | C4 | C3 | O3 | 134.2° | 63.3° |
| O4 | C4 | C3 | C2 | 104.9° | 176.9° |
| O4 | C4 | C3 | H3 | 15.8° | 57.0° |
| O4 | C4 | C5 | H5 | 44.9° | 57.5° |
| C6 | C5 | C4 | O5 | 126.2° | 120.0° |
| C6 | C5 | C4 | H5 | 116.7° | 120.0° |
| C6 | C5 | C4 | C3 | 166.7° | 177.6° |
| C6 | C5 | O5 | H5 | 117.0° | 120.1° |
| C6 | C5 | O5 | C1 | 178.8° | 178.9° |
| C6 | C5 | C4 | H4 | 46.5° | 57.7° |
| C5 | C6 | H61 | H62 | 119.5° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 119.7° | 119.9° |
| C4 | C5 | O5 | H5 | 116.6° | 120.0° |
| C5 | C4 | C3 | O3 | 105.1° | 176.8° |
| C5 | C4 | C3 | C2 | 15.8° | 57.0° |
| C4 | C5 | O5 | C1 | 52.5° | 61.1° |
| C5 | C4 | C3 | H3 | 136.5° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C4 | C5 | C6 | H61 | 176.3° | 55.0° |
| C4 | C5 | C6 | H62 | 56.7° | 65.0° |
| C3 | C4 | C5 | O5 | 40.5° | 57.6° |
| C4 | C3 | O3 | C2 | 123.3° | 119.6° |
| C4 | C3 | O3 | H3 | 118.2° | 120.3° |
| C4 | C3 | C2 | H3 | 120.6° | 120.0° |
| C4 | C3 | C2 | N2 | 176.0° | 62.9° |
| C4 | C3 | C2 | C1 | 61.2° | 57.0° |
| C4 | C3 | C2 | H2 | 56.0° | 176.9° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.6° |
| C3 | C4 | O4 | HO4 | 56.7° | 179.7° |
| C3 | C4 | C5 | H5 | 76.6° | 62.4° |
| C5 | O5 | C1 | C2 | 7.3° | 61.1° |
| C5 | O5 | C1 | O1 | 115.8° | 58.8° |
| C5 | O5 | C1 | H1 | 125.6° | 178.9° |
| O5 | C5 | C4 | H4 | 79.6° | 62.3° |
| O5 | C5 | C6 | H61 | 49.9° | 174.9° |
| O5 | C5 | C6 | H62 | 69.7° | 55.0° |
| O3 | C3 | C2 | H3 | 118.6° | 120.2° |
| O3 | C3 | C2 | N2 | 63.2° | 57.0° |
| O3 | C3 | C2 | C1 | 59.6° | 176.9° |
| O3 | C3 | C2 | H2 | 176.8° | 63.2° |
| O3 | C3 | C4 | H4 | 14.6° | 56.9° |
| C3 | C2 | N2 | C1 | 122.7° | 119.6° |
| C3 | C2 | N2 | H2 | 119.9° | 120.3° |
| C3 | C2 | C1 | H2 | 117.7° | 120.0° |
| C3 | C2 | C1 | O5 | 49.1° | 57.6° |
| C3 | C2 | C1 | O1 | 170.3° | 62.4° |
| C3 | C2 | C1 | H1 | 69.6° | 177.6° |
| C3 | C2 | N2 | HN21 | 180.0° | 179.7° |
| C3 | C2 | N2 | HN22 | 60.0° | 55.7° |
| C2 | C3 | O3 | HO3 | 56.7° | 60.0° |
| C2 | C3 | C4 | H4 | 135.5° | 62.9° |
| N2 | C2 | C1 | H2 | 118.2° | 120.1° |
| N2 | C2 | C1 | O5 | 173.2° | 62.3° |
| N2 | C2 | C1 | O1 | 65.6° | 177.7° |
| N2 | C2 | C1 | H1 | 54.6° | 57.7° |
| C2 | N2 | HN21 | HN22 | 120.0° | 124.0° |
| N2 | C2 | C3 | H3 | 55.4° | 177.2° |
| C2 | C1 | O5 | O1 | 123.1° | 120.0° |
| C2 | C1 | O5 | H1 | 118.3° | 120.0° |
| C2 | C1 | O1 | H1 | 118.9° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | N2 | HN21 | 57.4° | 60.1° |
| C1 | C2 | N2 | HN22 | 62.7° | 64.0° |
| C1 | C2 | C3 | H3 | 178.2° | 63.0° |
| O5 | C1 | O1 | H1 | 117.7° | 120.0° |
| O5 | C1 | O1 | HO1 | 56.7° | 60.0° |
| O5 | C1 | C2 | H2 | 68.6° | 177.6° |
| C1 | O5 | C5 | H5 | 64.2° | 58.8° |
| O1 | C1 | C2 | H2 | 52.6° | 57.6° |
| H1 | C1 | O1 | HO1 | 61.1° | 60.0° |
| H1 | C1 | C2 | H2 | 172.7° | 62.4° |
| H2 | C2 | N2 | HN21 | 60.1° | 60.0° |
| H2 | C2 | N2 | HN22 | 179.9° | 175.9° |
| H2 | C2 | C3 | H3 | 64.6° | 56.9° |
| H3 | C3 | O3 | HO3 | 61.8° | 60.2° |
| H3 | C3 | C4 | H4 | 103.8° | 177.1° |
| H4 | C4 | O4 | HO4 | 62.5° | 60.2° |
| H4 | C4 | C5 | H5 | 163.3° | 177.7° |
| H5 | C5 | C6 | H61 | 67.3° | 65.0° |
| H5 | C5 | C6 | H62 | 173.1° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.0° |
