HBZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C1 | sing | 1.43Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C1 | N1 | sing | 1.46Å | 1.43Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C6 | O6 | sing | 1.43Å | 1.46Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | O7 | doub | 1.22Å | 1.25Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C8 | sing | 1.35Å | 1.38Å | |
| C8 | O8 | doub | 1.22Å | 1.25Å | |
| C8 | C9 | sing | 1.48Å | 1.51Å | |
| C9 | C10 | doub | 1.40Å | 1.45Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.46Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.46Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.45Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.44Å | Aromatic |
| C12 | O12 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | doub | 1.38Å | 1.45Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| 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 | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O5 | C5 | 112.2° | 114.1° |
| O5 | C1 | C2 | 107.1° | 109.4° |
| O5 | C1 | N1 | 107.9° | 109.5° |
| O5 | C1 | H1 | 113.0° | 109.4° |
| O5 | C5 | C4 | 111.3° | 109.4° |
| O5 | C5 | C6 | 109.6° | 109.5° |
| O5 | C5 | H5 | 108.4° | 109.4° |
| C2 | C1 | N1 | 112.1° | 109.5° |
| C1 | C2 | O2 | 108.2° | 109.5° |
| C1 | C2 | C3 | 107.8° | 109.1° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C1 | C2 | H2 | 111.8° | 109.5° |
| C1 | N1 | C7 | 117.9° | 120.0° |
| N1 | C1 | H1 | 108.1° | 109.5° |
| C1 | N1 | HN1 | 121.1° | 120.0° |
| O2 | C2 | C3 | 110.6° | 109.5° |
| O2 | C2 | H2 | 109.0° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 111.0° | 109.5° |
| C2 | C3 | C4 | 108.6° | 109.0° |
| C3 | C2 | H2 | 109.4° | 109.6° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| O3 | C3 | C4 | 108.2° | 109.5° |
| O3 | C3 | H3 | 109.0° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 110.5° | 109.5° |
| C3 | C4 | C5 | 110.9° | 109.2° |
| C4 | C3 | H3 | 111.4° | 109.7° |
| C3 | C4 | H4 | 107.6° | 109.6° |
| O4 | C4 | C5 | 108.9° | 109.5° |
| O4 | C4 | H4 | 109.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | C6 | 110.2° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | H5 | 107.8° | 109.5° |
| C5 | C6 | O6 | 109.0° | 109.5° |
| C6 | C5 | H5 | 109.6° | 109.5° |
| C5 | C6 | H61 | 109.6° | 109.5° |
| C5 | C6 | H62 | 109.7° | 109.5° |
| O6 | C6 | H61 | 109.6° | 109.5° |
| O6 | C6 | H62 | 109.8° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.1° |
| N1 | C7 | O7 | 119.6° | 120.0° |
| N1 | C7 | N2 | 118.6° | 120.0° |
| C7 | N1 | HN1 | 121.1° | 120.0° |
| O7 | C7 | N2 | 121.8° | 120.0° |
| C7 | N2 | C8 | 126.2° | 120.0° |
| C7 | N2 | HN2 | 116.9° | 120.0° |
| N2 | C8 | O8 | 123.2° | 120.0° |
| N2 | C8 | C9 | 117.1° | 120.0° |
| C8 | N2 | HN2 | 116.9° | 120.0° |
| O8 | C8 | C9 | 119.7° | 120.0° |
| C8 | C9 | C10 | 120.7° | 120.1° |
| C8 | C9 | C14 | 119.8° | 120.1° |
| C10 | C9 | C14 | 119.4° | 119.8° |
| C9 | C10 | C11 | 120.5° | 119.9° |
| C9 | C10 | H10 | 119.7° | 120.0° |
| C9 | C14 | C13 | 120.0° | 119.9° |
| C9 | C14 | H14 | 120.0° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.1° |
| C11 | C10 | H10 | 119.7° | 120.1° |
| C10 | C11 | H11 | 120.3° | 119.9° |
| C11 | C12 | C13 | 120.6° | 120.2° |
| C11 | C12 | O12 | 120.8° | 119.9° |
| C12 | C11 | H11 | 120.3° | 119.9° |
| C13 | C12 | O12 | 118.6° | 119.9° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C12 | O12 | HO12 | 109.5° | 114.0° |
| C14 | C13 | H13 | 119.9° | 119.9° |
| C13 | C14 | H14 | 120.0° | 120.1° |
| H61 | C6 | H62 | 109.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | N1 | 118.2° | 120.0° |
| O5 | C1 | C2 | H1 | 122.4° | 120.0° |
| O5 | C1 | N1 | H1 | 122.4° | 120.0° |
| O5 | C1 | C2 | O2 | 178.9° | 177.5° |
| O5 | C1 | C2 | C3 | 61.4° | 57.6° |
| C1 | O5 | C5 | C4 | 58.6° | 61.1° |
| C1 | O5 | C5 | C6 | 179.3° | 178.9° |
| O5 | C1 | N1 | C7 | 94.0° | 95.0° |
| O5 | C1 | C2 | H2 | 58.9° | 62.4° |
| C1 | O5 | C5 | H5 | 59.8° | 58.8° |
| O5 | C1 | N1 | HN1 | 86.0° | 85.1° |
| C5 | O5 | C1 | C2 | 61.4° | 61.1° |
| C5 | O5 | C1 | N1 | 177.7° | 178.9° |
| O5 | C5 | C4 | C3 | 56.5° | 57.6° |
| O5 | C5 | C4 | O4 | 178.2° | 177.5° |
| O5 | C5 | C4 | C6 | 121.8° | 120.0° |
| O5 | C5 | C4 | H5 | 118.7° | 119.9° |
| O5 | C5 | C6 | H5 | 118.8° | 120.0° |
| O5 | C5 | C6 | O6 | 72.7° | 65.0° |
| C5 | O5 | C1 | H1 | 58.3° | 58.9° |
| O5 | C5 | C4 | H4 | 62.0° | 62.4° |
| O5 | C5 | C6 | H61 | 47.3° | 175.0° |
| O5 | C5 | C6 | H62 | 167.0° | 55.0° |
| C2 | C1 | N1 | H1 | 119.8° | 120.1° |
| C1 | C2 | O2 | C3 | 117.9° | 119.6° |
| C1 | C2 | O2 | H2 | 121.8° | 120.1° |
| C1 | C2 | C3 | H2 | 121.7° | 119.9° |
| C1 | C2 | C3 | O3 | 179.9° | 176.8° |
| C1 | C2 | C3 | C4 | 61.1° | 57.0° |
| C2 | C1 | N1 | C7 | 148.3° | 145.0° |
| C1 | C2 | O2 | HO2 | 17.1° | 60.0° |
| C1 | C2 | C3 | H3 | 60.2° | 63.0° |
| C2 | C1 | N1 | HN1 | 31.8° | 34.9° |
| N1 | C1 | C2 | O2 | 60.7° | 62.5° |
| N1 | C1 | C2 | C3 | 179.6° | 177.6° |
| C1 | N1 | C7 | HN1 | 180.0° | 179.9° |
| C1 | N1 | C7 | O7 | 0.0° | 0.1° |
| C1 | N1 | C7 | N2 | 179.1° | 180.0° |
| N1 | C1 | C2 | H2 | 59.3° | 57.6° |
| O2 | C2 | C3 | H2 | 120.1° | 120.2° |
| O2 | C2 | C3 | O3 | 61.9° | 63.3° |
| O2 | C2 | C3 | C4 | 179.2° | 176.9° |
| O2 | C2 | C1 | H1 | 58.7° | 57.5° |
| O2 | C2 | C3 | H3 | 57.9° | 56.9° |
| C2 | C3 | O3 | C4 | 119.1° | 119.5° |
| C2 | C3 | O3 | H3 | 119.6° | 120.1° |
| C2 | C3 | C4 | H3 | 119.6° | 119.9° |
| C2 | C3 | C4 | O4 | 178.6° | 176.9° |
| C2 | C3 | C4 | C5 | 57.8° | 57.0° |
| C3 | C2 | C1 | H1 | 61.0° | 62.4° |
| C3 | C2 | O2 | HO2 | 135.0° | 179.7° |
| C2 | C3 | O3 | HO3 | 153.2° | 60.1° |
| C2 | C3 | C4 | H4 | 61.7° | 62.9° |
| O3 | C3 | C4 | H3 | 119.8° | 120.3° |
| O3 | C3 | C4 | O4 | 60.8° | 63.3° |
| O3 | C3 | C4 | C5 | 178.3° | 176.8° |
| O3 | C3 | C2 | H2 | 58.2° | 56.9° |
| O3 | C3 | C4 | H4 | 58.9° | 56.9° |
| C3 | C4 | O4 | C5 | 122.1° | 119.6° |
| C3 | C4 | O4 | H4 | 118.5° | 120.2° |
| C3 | C4 | C5 | H4 | 118.5° | 120.0° |
| C3 | C4 | C5 | C6 | 178.3° | 177.6° |
| C4 | C3 | C2 | H2 | 60.7° | 62.9° |
| C4 | C3 | O3 | HO3 | 87.8° | 179.6° |
| C3 | C4 | O4 | HO4 | 105.9° | 60.0° |
| C3 | C4 | C5 | H5 | 62.2° | 62.3° |
| O4 | C4 | C5 | H4 | 119.8° | 120.2° |
| O4 | C4 | C5 | C6 | 60.0° | 62.5° |
| O4 | C4 | C3 | H3 | 59.0° | 57.0° |
| O4 | C4 | C5 | H5 | 59.5° | 57.5° |
| C4 | C5 | C6 | H5 | 118.4° | 120.0° |
| C4 | C5 | C6 | O6 | 50.1° | 175.1° |
| C5 | C4 | C3 | H3 | 61.9° | 62.9° |
| C5 | C4 | O4 | HO4 | 16.1° | 179.7° |
| C4 | C5 | C6 | H61 | 170.1° | 55.0° |
| C4 | C5 | C6 | H62 | 70.2° | 64.9° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.2° | 120.0° |
| C6 | C5 | C4 | H4 | 59.8° | 57.6° |
| C5 | C6 | H61 | H62 | 120.1° | 120.0° |
| C5 | C6 | O6 | HO6 | 78.2° | 180.0° |
| O6 | C6 | C5 | H5 | 168.5° | 55.0° |
| O6 | C6 | H61 | H62 | 120.2° | 119.9° |
| N1 | C7 | O7 | N2 | 179.1° | 179.9° |
| N1 | C7 | N2 | C8 | 179.9° | 180.0° |
| C7 | N1 | C1 | H1 | 28.4° | 25.0° |
| N1 | C7 | N2 | HN2 | 0.1° | 0.1° |
| O7 | C7 | N2 | C8 | 0.8° | 0.0° |
| O7 | C7 | N1 | HN1 | 180.0° | 180.0° |
| O7 | C7 | N2 | HN2 | 179.2° | 180.0° |
| C7 | N2 | C8 | HN2 | 180.0° | 180.0° |
| C7 | N2 | C8 | O8 | 0.8° | 0.0° |
| C7 | N2 | C8 | C9 | 178.1° | 180.0° |
| N2 | C7 | N1 | HN1 | 0.8° | 0.1° |
| N2 | C8 | O8 | C9 | 178.9° | 180.0° |
| N2 | C8 | C9 | C10 | 21.2° | 180.0° |
| N2 | C8 | C9 | C14 | 158.4° | 0.3° |
| O8 | C8 | C9 | C10 | 159.9° | 0.0° |
| O8 | C8 | C9 | C14 | 20.5° | 179.7° |
| O8 | C8 | N2 | HN2 | 179.2° | 180.0° |
| C8 | C9 | C10 | C14 | 179.5° | 179.7° |
| C8 | C9 | C10 | C11 | 179.4° | 180.0° |
| C8 | C9 | C14 | C13 | 179.5° | 179.8° |
| C9 | C8 | N2 | HN2 | 1.9° | 0.0° |
| C8 | C9 | C10 | H10 | 0.6° | 0.1° |
| C8 | C9 | C14 | H14 | 0.5° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C9 | C14 | C13 | 0.1° | 0.6° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C9 | C14 | H14 | 179.9° | 179.7° |
| C14 | C9 | C10 | C11 | 0.1° | 0.3° |
| C9 | C14 | C13 | C12 | 0.1° | 0.6° |
| C9 | C14 | C13 | H14 | 180.0° | 179.7° |
| C14 | C9 | C10 | H10 | 179.8° | 179.8° |
| C9 | C14 | C13 | H13 | 179.9° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | O12 | 179.7° | 180.0° |
| C11 | C12 | C13 | O12 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 179.8° | 179.9° |
| C11 | C12 | O12 | HO12 | 1.2° | 90.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C13 | C12 | C11 | H11 | 179.8° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.7° |
| C13 | C12 | O12 | HO12 | 178.7° | 90.1° |
| O12 | C12 | C13 | C14 | 179.7° | 179.8° |
| O12 | C12 | C11 | H11 | 0.3° | 0.0° |
| O12 | C12 | C13 | H13 | 0.3° | 0.0° |
| H1 | C1 | C2 | H2 | 178.7° | 177.7° |
| H1 | C1 | N1 | HN1 | 151.6° | 155.0° |
| H2 | C2 | O2 | HO2 | 104.7° | 60.1° |
| H2 | C2 | C3 | H3 | 178.0° | 177.1° |
| H3 | C3 | O3 | HO3 | 33.6° | 60.1° |
| H3 | C3 | C4 | H4 | 178.7° | 177.1° |
| H4 | C4 | O4 | HO4 | 135.6° | 60.2° |
| H4 | C4 | C5 | H5 | 179.3° | 177.7° |
| H5 | C5 | C6 | H61 | 71.5° | 65.0° |
| H5 | C5 | C6 | H62 | 48.2° | 175.0° |
| H61 | C6 | O6 | HO6 | 161.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 42.0° | 60.0° |
| H10 | C10 | C11 | H11 | 0.0° | 0.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
