ZBX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | O4 | sing | 1.43Å | 1.41Å | |
| O4 | C15 | sing | 1.36Å | 1.38Å | |
| O5 | C17 | doub | 1.22Å | 1.35Å | |
| O6 | C19 | sing | 1.36Å | 1.36Å | |
| O7 | C21 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.38Å | |
| C17 | C18 | sing | 1.47Å | 1.38Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | C11 | doub | 1.41Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.44Å | |
| C21 | C3 | sing | 1.53Å | 1.52Å | |
| C18 | C9 | doub | 1.41Å | 1.37Å | Aromatic |
| C20 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.38Å | |
| C9 | C10 | sing | 1.48Å | 1.39Å | |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C10 | O3 | doub | 1.21Å | 1.36Å | |
| C6 | O2 | sing | 1.45Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.56Å | |
| C2 | O | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| O2 | C5 | sing | 1.34Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| O | H17 | sing | 0.97Å | 0.95Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| O6 | H23 | sing | 0.97Å | 0.95Å | |
| O7 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | O4 | C15 | 122.3° | 117.0° |
| O4 | C22 | H19 | 109.5° | 109.5° |
| O4 | C22 | H20 | 109.5° | 109.5° |
| O4 | C22 | H21 | 109.4° | 109.5° |
| O4 | C15 | C14 | 120.6° | 120.1° |
| O4 | C15 | C16 | 119.9° | 120.1° |
| O5 | C17 | C16 | 120.7° | 120.0° |
| O5 | C17 | C18 | 119.0° | 120.0° |
| O6 | C19 | C18 | 117.9° | 119.8° |
| O6 | C19 | C20 | 121.7° | 119.8° |
| C19 | O6 | H23 | 109.5° | 114.0° |
| O7 | C21 | C20 | 108.3° | 109.2° |
| O7 | C21 | C3 | 112.0° | 109.2° |
| O7 | C21 | H12 | 111.2° | 109.2° |
| C21 | O7 | H24 | 109.5° | 114.0° |
| C14 | C15 | C16 | 119.5° | 119.8° |
| C15 | C14 | C13 | 120.0° | 120.3° |
| C15 | C14 | H11 | 120.0° | 119.8° |
| C15 | C16 | C17 | 120.4° | 120.4° |
| C15 | C16 | C11 | 120.4° | 119.6° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C17 | C16 | C11 | 119.2° | 120.1° |
| C17 | C18 | C19 | 119.1° | 120.6° |
| C17 | C18 | C9 | 121.1° | 120.1° |
| C14 | C13 | C12 | 119.9° | 120.6° |
| C13 | C14 | H11 | 120.0° | 119.8° |
| C14 | C13 | H18 | 120.0° | 119.7° |
| C18 | C19 | C20 | 120.4° | 120.4° |
| C19 | C18 | C9 | 119.8° | 119.3° |
| C19 | C20 | C21 | 119.9° | 117.5° |
| C19 | C20 | C7 | 121.5° | 120.0° |
| C16 | C11 | C12 | 120.3° | 119.7° |
| C16 | C11 | C10 | 120.2° | 120.0° |
| C20 | C21 | C3 | 104.2° | 110.7° |
| C21 | C20 | C7 | 118.6° | 122.5° |
| C20 | C21 | H12 | 110.9° | 109.3° |
| C21 | C3 | C2 | 110.7° | 108.4° |
| C21 | C3 | H3 | 109.2° | 109.6° |
| C21 | C3 | H4 | 109.2° | 109.8° |
| C3 | C21 | H12 | 109.9° | 109.3° |
| C18 | C9 | C10 | 118.5° | 120.1° |
| C18 | C9 | C8 | 119.5° | 119.5° |
| C20 | C7 | C8 | 117.8° | 120.1° |
| C20 | C7 | C4 | 121.2° | 122.5° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C13 | C12 | H13 | 120.1° | 120.0° |
| C12 | C13 | H18 | 120.1° | 119.7° |
| C3 | C2 | C1 | 108.7° | 109.7° |
| C3 | C2 | C4 | 112.9° | 108.3° |
| C3 | C2 | O | 106.8° | 109.7° |
| C2 | C3 | H3 | 109.1° | 109.7° |
| C2 | C3 | H4 | 109.1° | 109.7° |
| C12 | C11 | C10 | 119.5° | 120.2° |
| C11 | C12 | H13 | 120.1° | 120.0° |
| C11 | C10 | C9 | 120.7° | 119.8° |
| C11 | C10 | O3 | 118.5° | 120.1° |
| C10 | C9 | C8 | 122.0° | 120.5° |
| C9 | C10 | O3 | 120.8° | 120.1° |
| C9 | C8 | C7 | 121.0° | 120.7° |
| C9 | C8 | H8 | 119.5° | 119.6° |
| C8 | C7 | C4 | 120.9° | 117.4° |
| C7 | C8 | H8 | 119.5° | 119.7° |
| C7 | C4 | C2 | 112.4° | 110.7° |
| C7 | C4 | C5 | 115.4° | 109.2° |
| C7 | C4 | H9 | 104.8° | 109.3° |
| C6 | O2 | C5 | 116.0° | 117.0° |
| O2 | C6 | H5 | 109.5° | 109.5° |
| O2 | C6 | H6 | 109.5° | 109.5° |
| O2 | C6 | H7 | 109.5° | 109.5° |
| C1 | C2 | C4 | 112.8° | 109.7° |
| C1 | C2 | O | 108.1° | 109.7° |
| C2 | C1 | C | 111.1° | 109.4° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C2 | C1 | H2 | 109.1° | 109.5° |
| C4 | C2 | O | 107.3° | 109.7° |
| C2 | C4 | C5 | 113.8° | 109.2° |
| C2 | C4 | H9 | 104.3° | 109.2° |
| C2 | O | H17 | 109.5° | 114.0° |
| C | C1 | H1 | 109.1° | 109.5° |
| C | C1 | H2 | 109.1° | 109.4° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C | H15 | 109.5° | 109.4° |
| C1 | C | H16 | 109.5° | 109.5° |
| O2 | C5 | C4 | 123.1° | 120.0° |
| O2 | C5 | O1 | 117.2° | 120.0° |
| C4 | C5 | O1 | 119.7° | 120.0° |
| C5 | C4 | H9 | 104.7° | 109.2° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.6° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H5 | C6 | H7 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H14 | C | H15 | 109.4° | 109.4° |
| H14 | C | H16 | 109.5° | 109.5° |
| H15 | C | H16 | 109.4° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | O4 | C15 | C14 | 68.8° | 0.0° |
| C22 | O4 | C15 | C16 | 112.0° | 180.0° |
| O4 | C22 | H19 | H20 | 120.0° | 120.0° |
| O4 | C22 | H19 | H21 | 120.0° | 120.0° |
| O4 | C22 | H20 | H21 | 120.0° | 120.0° |
| O4 | C15 | C14 | C16 | 179.2° | 180.0° |
| O4 | C15 | C16 | C17 | 0.3° | 0.0° |
| O4 | C15 | C14 | C13 | 179.0° | 179.9° |
| O4 | C15 | C16 | C11 | 178.5° | 180.0° |
| O4 | C15 | C14 | H11 | 1.0° | 0.1° |
| C15 | O4 | C22 | H19 | 180.0° | 179.9° |
| C15 | O4 | C22 | H20 | 60.0° | 60.0° |
| C15 | O4 | C22 | H21 | 60.0° | 60.0° |
| O5 | C17 | C16 | C15 | 0.4° | 0.0° |
| O5 | C17 | C16 | C18 | 179.9° | 180.0° |
| O5 | C17 | C18 | C19 | 0.1° | 0.2° |
| O5 | C17 | C16 | C11 | 179.2° | 179.9° |
| O5 | C17 | C18 | C9 | 179.1° | 179.9° |
| O6 | C19 | C18 | C17 | 0.3° | 0.0° |
| O6 | C19 | C18 | C20 | 179.0° | 180.0° |
| O6 | C19 | C20 | C21 | 1.3° | 0.3° |
| O6 | C19 | C18 | C9 | 178.9° | 179.9° |
| O6 | C19 | C20 | C7 | 179.3° | 179.8° |
| O7 | C21 | C20 | C19 | 9.3° | 77.2° |
| O7 | C21 | C20 | C3 | 119.4° | 120.3° |
| O7 | C21 | C20 | H12 | 122.3° | 119.3° |
| O7 | C21 | C3 | H12 | 124.2° | 119.3° |
| O7 | C21 | C20 | C7 | 170.2° | 102.6° |
| O7 | C21 | C3 | C2 | 173.9° | 69.2° |
| O7 | C21 | C3 | H3 | 53.7° | 171.1° |
| O7 | C21 | C3 | H4 | 66.0° | 50.6° |
| C14 | C15 | C16 | C17 | 179.5° | 180.0° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.8° | 0.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | H18 | 179.9° | 180.0° |
| C15 | C16 | C17 | C11 | 178.7° | 180.0° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C16 | C11 | C12 | 0.9° | 0.0° |
| C15 | C16 | C11 | C10 | 179.2° | 180.0° |
| C16 | C15 | C14 | H11 | 179.8° | 179.9° |
| C16 | C17 | C18 | C19 | 179.8° | 179.9° |
| C16 | C17 | C18 | C9 | 0.9° | 0.1° |
| C17 | C16 | C11 | C12 | 179.7° | 180.0° |
| C17 | C16 | C11 | C10 | 0.5° | 0.0° |
| C17 | C18 | C19 | C9 | 179.3° | 179.9° |
| C17 | C18 | C19 | C20 | 179.3° | 179.9° |
| C18 | C17 | C16 | C11 | 0.9° | 0.0° |
| C17 | C18 | C9 | C10 | 0.5° | 0.1° |
| C17 | C18 | C9 | C8 | 179.6° | 179.8° |
| C14 | C13 | C12 | H18 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.1° | 0.1° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 179.8° | 179.7° |
| C18 | C19 | C20 | C7 | 0.4° | 0.2° |
| C19 | C18 | C9 | C10 | 179.8° | 179.8° |
| C19 | C18 | C9 | C8 | 0.4° | 0.2° |
| C18 | C19 | O6 | H23 | 0.2° | 90.0° |
| C19 | C20 | C21 | C7 | 179.4° | 179.9° |
| C19 | C20 | C21 | C3 | 128.7° | 162.5° |
| C20 | C19 | C18 | C9 | 0.1° | 0.1° |
| C19 | C20 | C7 | C8 | 0.5° | 0.3° |
| C19 | C20 | C7 | C4 | 177.7° | 179.6° |
| C19 | C20 | C21 | H12 | 113.1° | 42.1° |
| C20 | C19 | O6 | H23 | 179.2° | 90.0° |
| C16 | C11 | C12 | C13 | 0.6° | 0.0° |
| C16 | C11 | C12 | C10 | 179.8° | 180.0° |
| C16 | C11 | C10 | C9 | 0.1° | 0.0° |
| C16 | C11 | C10 | O3 | 179.2° | 180.0° |
| C16 | C11 | C12 | H13 | 179.4° | 180.0° |
| C20 | C21 | C3 | H12 | 118.9° | 120.4° |
| C20 | C21 | C3 | C2 | 69.3° | 51.0° |
| C21 | C20 | C7 | C8 | 179.9° | 179.5° |
| C21 | C20 | C7 | C4 | 1.7° | 0.6° |
| C20 | C21 | C3 | H3 | 170.5° | 68.7° |
| C20 | C21 | C3 | H4 | 50.9° | 170.8° |
| C20 | C21 | O7 | H24 | 180.0° | 60.0° |
| C3 | C21 | C20 | C7 | 50.7° | 17.6° |
| C21 | C3 | C2 | H3 | 120.2° | 119.7° |
| C21 | C3 | C2 | H4 | 120.2° | 119.8° |
| C21 | C3 | C2 | C1 | 86.6° | 170.5° |
| C21 | C3 | C2 | C4 | 39.3° | 69.8° |
| C21 | C3 | C2 | O | 157.0° | 49.9° |
| C21 | C3 | H3 | H4 | 119.4° | 120.6° |
| C3 | C21 | O7 | H24 | 65.7° | 178.9° |
| C18 | C9 | C10 | C11 | 0.1° | 0.1° |
| C18 | C9 | C10 | C8 | 179.8° | 179.9° |
| C18 | C9 | C8 | C7 | 0.3° | 0.1° |
| C18 | C9 | C10 | O3 | 179.2° | 179.9° |
| C18 | C9 | C8 | H8 | 179.7° | 179.9° |
| C20 | C7 | C8 | C9 | 0.1° | 0.2° |
| C20 | C7 | C8 | C4 | 178.2° | 179.9° |
| C20 | C7 | C4 | C2 | 30.1° | 17.7° |
| C20 | C7 | C4 | C5 | 102.6° | 102.5° |
| C20 | C7 | C8 | H8 | 179.9° | 179.9° |
| C20 | C7 | C4 | H9 | 142.8° | 138.0° |
| C7 | C20 | C21 | H12 | 67.5° | 138.0° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.6° | 179.9° |
| C12 | C13 | C14 | H11 | 179.9° | 180.0° |
| C3 | C2 | C4 | C7 | 8.8° | 51.1° |
| C3 | C2 | C1 | C4 | 126.0° | 118.9° |
| C3 | C2 | C1 | O | 115.6° | 120.5° |
| C3 | C2 | C4 | O | 117.4° | 119.7° |
| C3 | C2 | C1 | C | 132.3° | 61.8° |
| C3 | C2 | C4 | C5 | 124.7° | 69.1° |
| C3 | C2 | C1 | H1 | 107.5° | 58.2° |
| C3 | C2 | C1 | H2 | 12.0° | 178.2° |
| C2 | C3 | H3 | H4 | 119.4° | 120.5° |
| C3 | C2 | C4 | H9 | 121.8° | 171.5° |
| C2 | C3 | C21 | H12 | 49.7° | 171.4° |
| C3 | C2 | O | H17 | 180.0° | 60.0° |
| C12 | C11 | C10 | C9 | 179.9° | 179.9° |
| C12 | C11 | C10 | O3 | 0.6° | 0.0° |
| C11 | C12 | C13 | H18 | 179.9° | 180.0° |
| C11 | C10 | C9 | O3 | 179.3° | 180.0° |
| C11 | C10 | C9 | C8 | 179.9° | 179.8° |
| C10 | C11 | C12 | H13 | 0.4° | 0.0° |
| C10 | C9 | C8 | C7 | 179.9° | 180.0° |
| C10 | C9 | C8 | H8 | 0.1° | 0.1° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C4 | 178.0° | 179.7° |
| C8 | C9 | C10 | O3 | 0.7° | 0.1° |
| C8 | C7 | C4 | C2 | 148.0° | 162.4° |
| C8 | C7 | C4 | C5 | 79.2° | 77.4° |
| C8 | C7 | C4 | H9 | 35.3° | 42.1° |
| C7 | C4 | C2 | C1 | 132.5° | 170.8° |
| C7 | C4 | C2 | C5 | 133.5° | 120.3° |
| C7 | C4 | C2 | H9 | 113.0° | 120.4° |
| C7 | C4 | C2 | O | 108.6° | 68.6° |
| C7 | C4 | C5 | O2 | 25.1° | 146.5° |
| C7 | C4 | C5 | H9 | 114.7° | 119.5° |
| C7 | C4 | C5 | O1 | 154.5° | 33.4° |
| C4 | C7 | C8 | H8 | 2.0° | 0.2° |
| C6 | O2 | C5 | C4 | 138.8° | 180.0° |
| C6 | O2 | C5 | O1 | 41.6° | 0.0° |
| O2 | C6 | H5 | H6 | 120.0° | 120.0° |
| O2 | C6 | H5 | H7 | 120.0° | 120.0° |
| O2 | C6 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | C4 | O | 118.9° | 120.6° |
| C2 | C1 | C | H1 | 120.2° | 120.0° |
| C2 | C1 | C | H2 | 120.2° | 120.0° |
| C1 | C2 | C4 | C5 | 1.0° | 50.6° |
| C2 | C1 | H1 | H2 | 119.3° | 120.0° |
| C1 | C2 | C3 | H3 | 33.6° | 69.9° |
| C1 | C2 | C3 | H4 | 153.2° | 50.6° |
| C1 | C2 | C4 | H9 | 114.5° | 68.8° |
| C2 | C1 | C | H14 | 180.0° | 180.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C2 | C1 | C | H16 | 60.0° | 60.0° |
| C1 | C2 | O | H17 | 63.2° | 60.6° |
| C4 | C2 | C1 | C | 101.8° | 179.3° |
| C2 | C4 | C5 | O2 | 107.0° | 92.3° |
| C2 | C4 | C5 | H9 | 113.2° | 119.4° |
| C2 | C4 | C5 | O1 | 73.4° | 87.7° |
| C4 | C2 | C1 | H1 | 18.5° | 60.7° |
| C4 | C2 | C1 | H2 | 138.0° | 59.3° |
| C4 | C2 | C3 | H3 | 159.5° | 49.9° |
| C4 | C2 | C3 | H4 | 80.9° | 170.4° |
| C4 | C2 | O | H17 | 58.7° | 178.9° |
| O | C2 | C1 | C | 16.7° | 58.7° |
| O | C2 | C4 | C5 | 117.9° | 171.2° |
| O | C2 | C1 | H1 | 136.9° | 178.7° |
| O | C2 | C1 | H2 | 103.6° | 61.2° |
| O | C2 | C3 | H3 | 82.8° | 169.6° |
| O | C2 | C3 | H4 | 36.8° | 69.9° |
| O | C2 | C4 | H9 | 4.4° | 51.8° |
| C | C1 | H1 | H2 | 119.3° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 119.9° |
| C1 | C | H14 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| O2 | C5 | C4 | O1 | 179.5° | 180.0° |
| C5 | O2 | C6 | H5 | 180.0° | 60.0° |
| C5 | O2 | C6 | H6 | 60.0° | 60.0° |
| C5 | O2 | C6 | H7 | 60.0° | 179.9° |
| O2 | C5 | C4 | H9 | 139.7° | 27.1° |
| O1 | C5 | C4 | H9 | 39.8° | 152.9° |
| H1 | C1 | C | H14 | 59.8° | 60.0° |
| H1 | C1 | C | H15 | 179.8° | 60.0° |
| H1 | C1 | C | H16 | 60.3° | 180.0° |
| H2 | C1 | C | H14 | 59.8° | 60.1° |
| H2 | C1 | C | H15 | 60.2° | 180.0° |
| H2 | C1 | C | H16 | 179.8° | 60.0° |
| H3 | C3 | C21 | H12 | 70.5° | 51.7° |
| H4 | C3 | C21 | H12 | 169.8° | 68.8° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H11 | C14 | C13 | H18 | 0.1° | 0.1° |
| H12 | C21 | O7 | H24 | 57.8° | 59.4° |
| H13 | C12 | C13 | H18 | 0.0° | 0.1° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
