Z2T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2A | C1A | doub | 1.39Å | 1.39Å | Aromatic |
| C1A | O1 | sing | 1.36Å | 1.37Å | |
| C1A | C6A | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2A | sing | 1.51Å | 1.53Å | |
| C3A | C2A | sing | 1.38Å | 1.40Å | Aromatic |
| C3A | C4A | doub | 1.39Å | 1.40Å | Aromatic |
| C3A | H3A | sing | 1.08Å | 1.08Å | |
| O4A | C4A | sing | 1.36Å | 1.36Å | |
| C4A | C5A | sing | 1.39Å | 1.40Å | Aromatic |
| O4A | C7 | sing | 1.43Å | 1.43Å | |
| C5A | C6A | doub | 1.38Å | 1.39Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.08Å | |
| C6A | CL6 | sing | 1.74Å | 1.72Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| 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) |
| C2A | C1A | O1 | 121.0° | 120.0° |
| C2A | C1A | C6A | 119.4° | 120.0° |
| C1A | C2A | C1 | 119.5° | 120.0° |
| C1A | C2A | C3A | 120.0° | 120.0° |
| O1 | C1A | C6A | 119.6° | 120.0° |
| C1A | O1 | HO1 | 109.5° | 114.0° |
| C1A | C6A | C5A | 121.0° | 120.0° |
| C1A | C6A | CL6 | 118.6° | 120.0° |
| C1 | C2A | C3A | 120.5° | 120.0° |
| C2A | C1 | C2 | 116.1° | 109.5° |
| C2A | C1 | O5 | 102.3° | 109.5° |
| C2A | C1 | H1 | 109.5° | 109.4° |
| C2A | C3A | C4A | 120.4° | 120.0° |
| C2A | C3A | H3A | 119.8° | 120.0° |
| C4A | C3A | H3A | 119.8° | 120.0° |
| C3A | C4A | O4A | 118.6° | 120.0° |
| C3A | C4A | C5A | 119.6° | 120.0° |
| O4A | C4A | C5A | 121.7° | 120.0° |
| C4A | O4A | C7 | 113.8° | 117.0° |
| C4A | C5A | C6A | 119.5° | 120.0° |
| C4A | C5A | H5A | 120.2° | 120.0° |
| O4A | C7 | H7 | 109.5° | 109.5° |
| O4A | C7 | H7A | 109.5° | 109.5° |
| O4A | C7 | H7B | 109.5° | 109.5° |
| C6A | C5A | H5A | 120.2° | 120.0° |
| C5A | C6A | CL6 | 120.4° | 120.0° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.4° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| C2 | C1 | O5 | 107.7° | 109.5° |
| C2 | C1 | H1 | 104.2° | 109.5° |
| C1 | C2 | C3 | 109.4° | 109.1° |
| C1 | C2 | O2 | 110.4° | 109.5° |
| C1 | C2 | H2 | 109.8° | 109.6° |
| O5 | C1 | H1 | 117.6° | 109.5° |
| C1 | O5 | C5 | 112.4° | 114.1° |
| C3 | C2 | O2 | 111.8° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | O3 | 110.0° | 109.5° |
| C2 | C3 | C4 | 111.0° | 109.0° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| O2 | C2 | H2 | 107.2° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O3 | C3 | C4 | 109.5° | 109.6° |
| O3 | C3 | H3 | 109.6° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C3 | C4 | O4 | 109.7° | 109.5° |
| C3 | C4 | C5 | 112.0° | 109.2° |
| C3 | C4 | H4 | 107.4° | 109.5° |
| O4 | C4 | C5 | 108.8° | 109.5° |
| O4 | C4 | H4 | 110.6° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C4 | C5 | C6 | 112.6° | 109.5° |
| C4 | C5 | O5 | 111.7° | 109.4° |
| C4 | C5 | H5 | 105.2° | 109.5° |
| C6 | C5 | O5 | 107.8° | 109.5° |
| C6 | C5 | H5 | 109.2° | 109.5° |
| C5 | C6 | O6 | 109.9° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| O5 | C5 | H5 | 110.3° | 109.5° |
| O6 | C6 | H61 | 109.3° | 109.4° |
| O6 | C6 | H62 | 109.3° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | C1A | O1 | C6A | 179.3° | 179.7° |
| C2A | C1A | O1 | HO1 | 180.0° | 89.7° |
| C1A | C2A | C1 | C3A | 178.3° | 180.0° |
| C1A | C2A | C3A | C4A | 0.7° | 0.1° |
| C1A | C2A | C3A | H3A | 179.3° | 180.0° |
| C2A | C1A | C6A | C5A | 0.6° | 0.5° |
| C2A | C1A | C6A | CL6 | 179.8° | 179.7° |
| C1A | C2A | C1 | C2 | 146.5° | 85.1° |
| C1A | C2A | C1 | O5 | 96.5° | 155.0° |
| C1A | C2A | C1 | H1 | 29.0° | 35.0° |
| O1 | C1A | C2A | C1 | 1.6° | 0.0° |
| O1 | C1A | C2A | C3A | 179.9° | 180.0° |
| O1 | C1A | C6A | C5A | 179.9° | 179.8° |
| O1 | C1A | C6A | CL6 | 0.9° | 0.1° |
| C6A | C1A | O1 | HO1 | 0.7° | 90.0° |
| C6A | C1A | C2A | C1 | 179.1° | 179.7° |
| C6A | C1A | C2A | C3A | 0.8° | 0.3° |
| C1A | C6A | C5A | C4A | 0.3° | 0.5° |
| C1A | C6A | C5A | CL6 | 179.2° | 179.7° |
| C1A | C6A | C5A | H5A | 179.7° | 179.8° |
| C1 | C2A | C3A | C4A | 179.0° | 180.0° |
| C1 | C2A | C3A | H3A | 1.0° | 0.0° |
| C2A | C1 | C2 | O5 | 114.0° | 120.0° |
| C2A | C1 | C2 | H1 | 120.4° | 120.0° |
| C2A | C1 | O5 | H1 | 119.9° | 119.9° |
| C2A | C1 | C2 | C3 | 176.3° | 177.6° |
| C2A | C1 | C2 | O2 | 60.3° | 62.5° |
| C2A | C1 | C2 | H2 | 57.7° | 57.7° |
| C2A | C1 | O5 | C5 | 171.7° | 178.9° |
| C2A | C3A | C4A | H3A | 180.0° | 180.0° |
| C2A | C3A | C4A | O4A | 179.6° | 180.0° |
| C2A | C3A | C4A | C5A | 0.4° | 0.0° |
| C3A | C2A | C1 | C2 | 35.2° | 95.0° |
| C3A | C2A | C1 | O5 | 81.8° | 25.0° |
| C3A | C2A | C1 | H1 | 152.7° | 145.0° |
| C3A | C4A | O4A | C5A | 180.0° | 180.0° |
| C3A | C4A | O4A | C7 | 167.2° | 180.0° |
| C3A | C4A | C5A | C6A | 0.2° | 0.2° |
| C3A | C4A | C5A | H5A | 179.9° | 180.0° |
| H3A | C3A | C4A | O4A | 0.3° | 0.0° |
| H3A | C3A | C4A | C5A | 179.6° | 180.0° |
| O4A | C4A | C5A | C6A | 179.9° | 179.8° |
| O4A | C4A | C5A | H5A | 0.1° | 0.0° |
| C4A | O4A | C7 | H7 | 180.0° | 60.0° |
| C4A | O4A | C7 | H7A | 60.0° | 180.0° |
| C4A | O4A | C7 | H7B | 60.0° | 60.0° |
| C5A | C4A | O4A | C7 | 12.8° | 0.0° |
| C4A | C5A | C6A | H5A | 180.0° | 179.8° |
| C4A | C5A | C6A | CL6 | 179.4° | 179.8° |
| O4A | C7 | H7 | H7A | 120.0° | 120.0° |
| O4A | C7 | H7 | H7B | 120.0° | 120.0° |
| O4A | C7 | H7A | H7B | 120.0° | 120.0° |
| H5A | C5A | C6A | CL6 | 0.6° | 0.0° |
| H7 | C7 | H7A | H7B | 120.0° | 119.9° |
| C2 | C1 | O5 | H1 | 117.2° | 120.1° |
| C1 | C2 | C3 | O2 | 122.5° | 119.9° |
| C1 | C2 | C3 | H2 | 119.6° | 119.9° |
| C1 | C2 | O2 | H2 | 119.5° | 120.2° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 176.1° | 176.9° |
| C1 | C2 | C3 | C4 | 54.7° | 57.0° |
| C1 | C2 | C3 | H3 | 64.3° | 62.9° |
| C2 | C1 | O5 | C5 | 65.4° | 61.2° |
| O5 | C1 | C2 | C3 | 62.3° | 57.6° |
| O5 | C1 | C2 | O2 | 174.2° | 177.6° |
| O5 | C1 | C2 | H2 | 56.3° | 62.3° |
| C1 | O5 | C5 | C4 | 58.7° | 61.1° |
| C1 | O5 | C5 | C6 | 177.0° | 178.9° |
| C1 | O5 | C5 | H5 | 57.9° | 58.9° |
| H1 | C1 | C2 | C3 | 63.3° | 62.4° |
| H1 | C1 | C2 | O2 | 60.2° | 57.5° |
| H1 | C1 | C2 | H2 | 178.1° | 177.7° |
| H1 | C1 | O5 | C5 | 51.8° | 58.9° |
| C3 | C2 | O2 | H2 | 118.5° | 120.1° |
| C3 | C2 | O2 | HO2 | 58.0° | 60.3° |
| C2 | C3 | O3 | C4 | 122.2° | 119.6° |
| C2 | C3 | O3 | H3 | 118.7° | 120.2° |
| C2 | C3 | C4 | H3 | 118.7° | 119.8° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 168.6° | 176.9° |
| C2 | C3 | C4 | C5 | 47.7° | 57.0° |
| C2 | C3 | C4 | H4 | 71.1° | 63.0° |
| O2 | C2 | C3 | O3 | 61.4° | 63.2° |
| O2 | C2 | C3 | C4 | 177.3° | 176.9° |
| O2 | C2 | C3 | H3 | 58.3° | 57.0° |
| H2 | C2 | O2 | HO2 | 60.5° | 59.8° |
| H2 | C2 | C3 | O3 | 56.5° | 56.9° |
| H2 | C2 | C3 | C4 | 64.9° | 63.0° |
| H2 | C2 | C3 | H3 | 176.1° | 177.2° |
| O3 | C3 | C4 | H3 | 119.6° | 120.3° |
| O3 | C3 | C4 | O4 | 69.7° | 63.2° |
| O3 | C3 | C4 | C5 | 169.3° | 176.8° |
| O3 | C3 | C4 | H4 | 50.5° | 56.9° |
| C4 | C3 | O3 | HO3 | 57.8° | 60.4° |
| C3 | C4 | O4 | C5 | 122.8° | 119.7° |
| C3 | C4 | O4 | H4 | 118.3° | 120.1° |
| C3 | C4 | C5 | H4 | 118.2° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | C6 | 170.3° | 177.6° |
| C3 | C4 | C5 | O5 | 48.9° | 57.6° |
| C3 | C4 | C5 | H5 | 70.8° | 62.4° |
| H3 | C3 | O3 | HO3 | 61.3° | 59.8° |
| H3 | C3 | C4 | O4 | 49.9° | 57.0° |
| H3 | C3 | C4 | C5 | 71.0° | 62.9° |
| H3 | C3 | C4 | H4 | 170.2° | 177.2° |
| O4 | C4 | C5 | H4 | 120.3° | 120.2° |
| O4 | C4 | C5 | C6 | 68.2° | 62.5° |
| O4 | C4 | C5 | O5 | 170.3° | 177.5° |
| O4 | C4 | C5 | H5 | 50.7° | 57.5° |
| C5 | C4 | O4 | HO4 | 57.2° | 179.7° |
| C4 | C5 | C6 | O5 | 123.6° | 120.0° |
| C4 | C5 | C6 | H5 | 116.5° | 120.0° |
| C4 | C5 | O5 | H5 | 116.6° | 120.0° |
| C4 | C5 | C6 | O6 | 48.8° | 175.0° |
| C4 | C5 | C6 | H61 | 168.8° | 55.0° |
| C4 | C5 | C6 | H62 | 71.2° | 65.0° |
| H4 | C4 | O4 | HO4 | 61.7° | 60.1° |
| H4 | C4 | C5 | C6 | 52.1° | 57.7° |
| H4 | C4 | C5 | O5 | 69.4° | 62.3° |
| H4 | C4 | C5 | H5 | 171.0° | 177.7° |
| C6 | C5 | O5 | H5 | 119.2° | 120.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 74.8° | 65.1° |
| O5 | C5 | C6 | H61 | 45.2° | 175.0° |
| O5 | C5 | C6 | H62 | 165.2° | 55.0° |
| H5 | C5 | C6 | O6 | 165.3° | 54.9° |
| H5 | C5 | C6 | H61 | 74.7° | 65.0° |
| H5 | C5 | C6 | H62 | 45.3° | 175.0° |
| O6 | C6 | H61 | H62 | 119.8° | 120.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
