ZH8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O4 | sing | 1.43Å | 1.44Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C5 | O3 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O5 | C6 | sing | 1.43Å | 1.44Å | |
| O5 | C8 | sing | 1.43Å | 1.42Å | |
| O2 | C4 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C8 | sing | 1.53Å | 1.54Å | |
| C3 | N1 | sing | 1.47Å | 1.45Å | |
| O6 | C8 | sing | 1.43Å | 1.41Å | |
| O6 | C9 | sing | 1.43Å | 1.43Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | N3 | doub | 1.29Å | 1.34Å | |
| C10 | C11 | sing | 1.51Å | 1.41Å | |
| N3 | C17 | sing | 1.37Å | 1.32Å | |
| C11 | C12 | sing | 1.51Å | 1.42Å | |
| C17 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | N2 | sing | 1.34Å | 1.38Å | Aromatic |
| C12 | N2 | sing | 1.37Å | 1.46Å | |
| C12 | O7 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.38Å | 1.35Å | Aromatic |
| N2 | C13 | doub | 1.33Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C7 | C6 | 109.7° | 109.4° |
| O4 | C7 | H11 | 109.4° | 109.5° |
| O4 | C7 | H12 | 109.4° | 109.4° |
| C7 | O4 | H13 | 109.5° | 114.0° |
| C7 | C6 | C5 | 115.1° | 109.5° |
| C7 | C6 | O5 | 105.1° | 109.5° |
| C7 | C6 | H10 | 108.7° | 109.5° |
| C6 | C7 | H11 | 109.4° | 109.5° |
| C6 | C7 | H12 | 109.4° | 109.5° |
| O1 | C2 | N1 | 120.9° | 120.0° |
| O1 | C2 | C1 | 121.8° | 119.9° |
| O3 | C5 | C6 | 110.1° | 109.5° |
| O3 | C5 | C4 | 109.6° | 109.6° |
| O3 | C5 | H8 | 110.5° | 109.5° |
| C5 | O3 | H9 | 109.5° | 114.1° |
| C6 | C5 | C4 | 108.8° | 109.1° |
| C5 | C6 | O5 | 109.8° | 109.4° |
| C6 | C5 | H8 | 108.9° | 109.6° |
| C5 | C6 | H10 | 108.4° | 109.5° |
| C5 | C4 | O2 | 113.2° | 109.6° |
| C5 | C4 | C3 | 109.7° | 109.1° |
| C5 | C4 | H6 | 107.6° | 109.5° |
| C4 | C5 | H8 | 109.0° | 109.5° |
| C6 | O5 | C8 | 112.7° | 114.1° |
| O5 | C6 | H10 | 109.7° | 109.5° |
| O5 | C8 | C3 | 110.4° | 109.4° |
| O5 | C8 | O6 | 108.5° | 109.5° |
| O5 | C8 | H14 | 109.7° | 109.5° |
| O2 | C4 | C3 | 109.5° | 109.5° |
| O2 | C4 | H6 | 109.0° | 109.5° |
| C4 | O2 | H7 | 109.5° | 114.0° |
| C4 | C3 | C8 | 108.1° | 109.2° |
| C4 | C3 | N1 | 108.4° | 109.5° |
| C4 | C3 | H5 | 107.9° | 109.5° |
| C3 | C4 | H6 | 107.7° | 109.6° |
| C8 | C3 | N1 | 115.5° | 109.5° |
| C3 | C8 | O6 | 110.1° | 109.5° |
| C8 | C3 | H5 | 107.8° | 109.5° |
| C3 | C8 | H14 | 108.2° | 109.5° |
| C3 | N1 | C2 | 125.2° | 120.0° |
| C3 | N1 | H4 | 117.4° | 119.9° |
| N1 | C3 | H5 | 108.9° | 109.6° |
| C8 | O6 | C9 | 114.3° | 114.0° |
| O6 | C8 | H14 | 109.9° | 109.5° |
| O6 | C9 | C10 | 106.9° | 109.5° |
| O6 | C9 | H15 | 110.1° | 109.5° |
| O6 | C9 | H16 | 110.1° | 109.5° |
| N1 | C2 | C1 | 117.3° | 120.0° |
| C2 | N1 | H4 | 117.4° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C9 | C10 | N3 | 116.2° | 119.9° |
| C9 | C10 | C11 | 121.0° | 119.9° |
| C10 | C9 | H15 | 110.1° | 109.5° |
| C10 | C9 | H16 | 110.1° | 109.5° |
| N3 | C10 | C11 | 122.8° | 120.2° |
| C10 | N3 | C17 | 119.2° | 122.4° |
| C10 | C11 | C12 | 119.7° | 107.8° |
| C10 | C11 | H17 | 106.8° | 109.9° |
| C10 | C11 | H18 | 106.9° | 109.9° |
| N3 | C17 | C16 | 119.0° | 119.3° |
| N3 | C17 | N2 | 123.4° | 120.8° |
| C11 | C12 | N2 | 114.7° | 117.2° |
| C11 | C12 | O7 | 126.9° | 121.4° |
| C12 | C11 | H17 | 106.8° | 109.7° |
| C12 | C11 | H18 | 106.9° | 109.8° |
| C16 | C17 | N2 | 117.7° | 119.9° |
| C17 | C16 | C15 | 121.0° | 119.4° |
| C17 | C16 | H22 | 119.5° | 120.3° |
| C17 | N2 | C12 | 120.2° | 118.9° |
| C17 | N2 | C13 | 120.9° | 121.5° |
| N2 | C12 | O7 | 118.4° | 121.4° |
| C12 | N2 | C13 | 118.9° | 119.6° |
| C16 | C15 | C14 | 119.7° | 118.9° |
| C16 | C15 | H21 | 120.1° | 120.6° |
| C15 | C16 | H22 | 119.5° | 120.3° |
| N2 | C13 | C14 | 120.9° | 120.9° |
| N2 | C13 | H19 | 119.5° | 119.5° |
| C15 | C14 | C13 | 119.9° | 119.4° |
| C15 | C14 | H20 | 120.0° | 120.4° |
| C14 | C15 | H21 | 120.2° | 120.5° |
| C14 | C13 | H19 | 119.6° | 119.5° |
| C13 | C14 | H20 | 120.1° | 120.3° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C7 | C6 | H11 | 120.0° | 120.0° |
| O4 | C7 | C6 | H12 | 120.0° | 119.9° |
| O4 | C7 | C6 | C5 | 178.2° | 175.0° |
| O4 | C7 | C6 | O5 | 61.0° | 65.0° |
| O4 | C7 | C6 | H10 | 56.4° | 55.0° |
| O4 | C7 | H11 | H12 | 119.9° | 120.0° |
| C7 | C6 | C5 | O3 | 64.3° | 62.5° |
| C7 | C6 | C5 | O5 | 118.3° | 120.0° |
| C7 | C6 | C5 | H10 | 121.9° | 120.0° |
| C7 | C6 | C5 | C4 | 175.6° | 177.6° |
| C7 | C6 | O5 | H10 | 116.7° | 120.1° |
| C7 | C6 | O5 | C8 | 174.9° | 178.9° |
| C7 | C6 | C5 | H8 | 56.9° | 57.7° |
| C6 | C7 | H11 | H12 | 119.9° | 120.0° |
| C6 | C7 | O4 | H13 | 180.0° | 180.0° |
| O1 | C2 | N1 | C3 | 8.0° | 0.0° |
| O1 | C2 | N1 | C1 | 178.6° | 180.0° |
| O1 | C2 | C1 | H1 | 0.0° | 180.0° |
| O1 | C2 | C1 | H2 | 120.0° | 60.1° |
| O1 | C2 | C1 | H3 | 120.0° | 60.0° |
| O1 | C2 | N1 | H4 | 172.0° | 180.0° |
| O3 | C5 | C6 | C4 | 120.1° | 119.9° |
| O3 | C5 | C6 | H8 | 121.2° | 120.1° |
| O3 | C5 | C4 | H8 | 121.0° | 120.1° |
| O3 | C5 | C6 | O5 | 177.4° | 177.5° |
| O3 | C5 | C4 | O2 | 59.7° | 63.2° |
| O3 | C5 | C4 | C3 | 177.7° | 176.9° |
| O3 | C5 | C4 | H6 | 60.8° | 57.0° |
| O3 | C5 | C6 | H10 | 57.6° | 57.6° |
| C6 | C5 | C4 | H8 | 118.7° | 119.9° |
| C5 | C6 | O5 | H10 | 119.0° | 120.0° |
| C5 | C6 | O5 | C8 | 60.8° | 61.2° |
| C6 | C5 | C4 | O2 | 179.9° | 176.9° |
| C6 | C5 | C4 | C3 | 57.3° | 57.0° |
| C6 | C5 | C4 | H6 | 59.6° | 62.9° |
| C6 | C5 | O3 | H9 | 180.0° | 60.0° |
| C5 | C6 | C7 | H11 | 61.8° | 55.0° |
| C5 | C6 | C7 | H12 | 58.1° | 65.1° |
| C4 | C5 | C6 | O5 | 57.3° | 57.6° |
| C5 | C4 | O2 | C3 | 122.7° | 119.6° |
| C5 | C4 | O2 | H6 | 119.7° | 120.2° |
| C5 | C4 | C3 | H6 | 116.8° | 119.9° |
| C5 | C4 | C3 | C8 | 57.4° | 57.0° |
| C5 | C4 | C3 | N1 | 176.7° | 176.9° |
| C5 | C4 | C3 | H5 | 58.9° | 62.9° |
| C5 | C4 | O2 | H7 | 180.0° | 60.4° |
| C4 | C5 | O3 | H9 | 60.4° | 179.7° |
| C4 | C5 | C6 | H10 | 62.4° | 62.4° |
| C6 | O5 | C8 | C3 | 61.8° | 61.2° |
| C6 | O5 | C8 | O6 | 177.5° | 178.9° |
| O5 | C6 | C5 | H8 | 61.4° | 62.3° |
| O5 | C6 | C7 | H11 | 59.0° | 174.9° |
| O5 | C6 | C7 | H12 | 179.0° | 54.9° |
| C6 | O5 | C8 | H14 | 57.4° | 58.8° |
| O5 | C8 | C3 | C4 | 58.9° | 57.6° |
| O5 | C8 | C3 | O6 | 119.8° | 119.9° |
| O5 | C8 | C3 | H14 | 120.1° | 120.0° |
| O5 | C8 | C3 | N1 | 179.5° | 177.5° |
| O5 | C8 | O6 | H14 | 120.0° | 120.1° |
| O5 | C8 | O6 | C9 | 69.5° | 65.1° |
| O5 | C8 | C3 | H5 | 57.5° | 62.3° |
| C8 | O5 | C6 | H10 | 58.2° | 58.8° |
| O2 | C4 | C3 | H6 | 118.4° | 120.2° |
| O2 | C4 | C3 | C8 | 177.8° | 177.0° |
| O2 | C4 | C3 | N1 | 51.9° | 63.2° |
| O2 | C4 | C3 | H5 | 65.9° | 57.0° |
| O2 | C4 | C5 | H8 | 61.2° | 56.9° |
| C4 | C3 | C8 | N1 | 121.6° | 119.9° |
| C4 | C3 | C8 | H5 | 116.4° | 119.9° |
| C4 | C3 | N1 | H5 | 117.2° | 120.2° |
| C4 | C3 | C8 | O6 | 178.7° | 177.6° |
| C4 | C3 | N1 | C2 | 118.5° | 155.0° |
| C4 | C3 | N1 | H4 | 61.5° | 25.0° |
| C3 | C4 | O2 | H7 | 57.3° | 180.0° |
| C3 | C4 | C5 | H8 | 61.4° | 63.0° |
| C4 | C3 | C8 | H14 | 61.2° | 62.4° |
| C8 | C3 | N1 | H5 | 121.4° | 120.2° |
| C3 | C8 | O6 | H14 | 119.1° | 120.0° |
| C3 | C8 | O6 | C9 | 169.6° | 175.0° |
| C8 | C3 | N1 | C2 | 120.1° | 85.3° |
| C8 | C3 | N1 | H4 | 59.9° | 94.7° |
| C8 | C3 | C4 | H6 | 59.4° | 62.9° |
| N1 | C3 | C8 | O6 | 59.8° | 62.5° |
| C3 | N1 | C2 | H4 | 180.0° | 180.0° |
| C3 | N1 | C2 | C1 | 173.3° | 180.0° |
| N1 | C3 | C4 | H6 | 66.5° | 57.0° |
| N1 | C3 | C8 | H14 | 60.4° | 57.5° |
| C8 | O6 | C9 | C10 | 132.9° | 180.0° |
| O6 | C8 | C3 | H5 | 62.2° | 57.7° |
| C8 | O6 | C9 | H15 | 13.3° | 60.0° |
| C8 | O6 | C9 | H16 | 107.5° | 60.0° |
| O6 | C9 | C10 | H15 | 119.6° | 120.0° |
| O6 | C9 | C10 | H16 | 119.6° | 120.0° |
| O6 | C9 | C10 | N3 | 164.6° | 0.0° |
| O6 | C9 | C10 | C11 | 13.4° | 179.7° |
| C9 | O6 | C8 | H14 | 50.5° | 55.0° |
| O6 | C9 | H15 | H16 | 121.2° | 120.0° |
| N1 | C2 | C1 | H1 | 178.6° | 0.0° |
| N1 | C2 | C1 | H2 | 58.6° | 120.0° |
| N1 | C2 | C1 | H3 | 61.4° | 120.0° |
| C2 | N1 | C3 | H5 | 1.3° | 34.8° |
| C2 | C1 | H1 | H2 | 120.1° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | N1 | H4 | 6.7° | 0.0° |
| C9 | C10 | N3 | C11 | 178.0° | 179.7° |
| C9 | C10 | N3 | C17 | 178.1° | 179.9° |
| C9 | C10 | C11 | C12 | 178.2° | 153.6° |
| C10 | C9 | H15 | H16 | 121.2° | 120.0° |
| C9 | C10 | C11 | H17 | 56.8° | 86.8° |
| C9 | C10 | C11 | H18 | 60.3° | 34.0° |
| N3 | C10 | C11 | C12 | 0.4° | 26.1° |
| C10 | N3 | C17 | C16 | 179.6° | 163.8° |
| C10 | N3 | C17 | N2 | 0.4° | 16.7° |
| N3 | C10 | C9 | H15 | 75.8° | 120.0° |
| N3 | C10 | C9 | H16 | 45.0° | 120.0° |
| N3 | C10 | C11 | H17 | 121.1° | 93.4° |
| N3 | C10 | C11 | H18 | 121.8° | 145.7° |
| C11 | C10 | N3 | C17 | 0.1° | 0.4° |
| C10 | C11 | C12 | H17 | 121.4° | 119.6° |
| C10 | C11 | C12 | H18 | 121.5° | 119.6° |
| C10 | C11 | C12 | N2 | 0.2° | 40.1° |
| C10 | C11 | C12 | O7 | 179.5° | 139.8° |
| C11 | C10 | C9 | H15 | 106.2° | 60.3° |
| C11 | C10 | C9 | H16 | 133.0° | 59.7° |
| C10 | C11 | H17 | H18 | 115.4° | 120.9° |
| N3 | C17 | C16 | N2 | 179.9° | 179.4° |
| N3 | C17 | N2 | C12 | 0.5° | 1.1° |
| N3 | C17 | C16 | C15 | 179.9° | 179.0° |
| N3 | C17 | N2 | C13 | 179.7° | 179.0° |
| N3 | C17 | C16 | H22 | 0.1° | 0.9° |
| C11 | C12 | N2 | C17 | 0.2° | 28.6° |
| C11 | C12 | N2 | O7 | 179.7° | 180.0° |
| C11 | C12 | N2 | C13 | 179.9° | 151.3° |
| C12 | C11 | H17 | H18 | 115.4° | 120.7° |
| C16 | C17 | N2 | C12 | 179.4° | 179.4° |
| C17 | C16 | C15 | H22 | 180.0° | 180.0° |
| C16 | C17 | N2 | C13 | 0.4° | 0.5° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | N2 | C12 | C13 | 179.8° | 179.9° |
| C17 | N2 | C12 | O7 | 179.9° | 151.4° |
| N2 | C17 | C16 | C15 | 0.2° | 0.4° |
| C17 | N2 | C13 | C14 | 0.4° | 0.3° |
| C17 | N2 | C13 | H19 | 179.6° | 179.7° |
| N2 | C17 | C16 | H22 | 179.8° | 179.6° |
| C12 | N2 | C13 | C14 | 179.4° | 179.6° |
| N2 | C12 | C11 | H17 | 121.2° | 79.5° |
| N2 | C12 | C11 | H18 | 121.7° | 159.8° |
| C12 | N2 | C13 | H19 | 0.6° | 0.4° |
| O7 | C12 | N2 | C13 | 0.3° | 28.7° |
| O7 | C12 | C11 | H17 | 59.1° | 100.6° |
| O7 | C12 | C11 | H18 | 58.0° | 20.2° |
| C16 | C15 | C14 | H21 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C16 | C15 | C14 | H20 | 179.9° | 179.9° |
| N2 | C13 | C14 | C15 | 0.2° | 0.0° |
| N2 | C13 | C14 | H19 | 180.0° | 180.0° |
| N2 | C13 | C14 | H20 | 179.9° | 180.0° |
| C15 | C14 | C13 | H20 | 180.0° | 180.0° |
| C15 | C14 | C13 | H19 | 179.8° | 180.0° |
| C14 | C15 | C16 | H22 | 180.0° | 179.9° |
| C13 | C14 | C15 | H21 | 180.0° | 179.8° |
| H1 | C1 | H2 | H3 | 119.9° | 119.9° |
| H4 | N1 | C3 | H5 | 178.7° | 145.1° |
| H5 | C3 | C4 | H6 | 175.7° | 177.2° |
| H5 | C3 | C8 | H14 | 177.6° | 177.7° |
| H6 | C4 | O2 | H7 | 60.3° | 59.8° |
| H6 | C4 | C5 | H8 | 178.2° | 177.1° |
| H8 | C5 | O3 | H9 | 59.7° | 60.2° |
| H8 | C5 | C6 | H10 | 178.8° | 177.7° |
| H10 | C6 | C7 | H11 | 176.4° | 65.0° |
| H10 | C6 | C7 | H12 | 63.6° | 174.9° |
| H11 | C7 | O4 | H13 | 59.9° | 60.0° |
| H12 | C7 | O4 | H13 | 60.0° | 60.1° |
| H19 | C13 | C14 | H20 | 0.2° | 0.0° |
| H20 | C14 | C15 | H21 | 0.1° | 0.2° |
| H21 | C15 | C16 | H22 | 0.0° | 0.0° |
