AU7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C26 | doub | 1.22Å | 1.35Å | |
| C26 | O27 | sing | 1.35Å | 1.21Å | |
| C26 | C25 | sing | 1.46Å | 1.46Å | |
| C25 | C24 | doub | 1.35Å | 1.35Å | |
| C24 | C21 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | N23 | doub | 1.31Å | 1.30Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| N23 | C17 | sing | 1.34Å | 1.34Å | Aromatic |
| C20 | C29 | sing | 1.51Å | 1.51Å | |
| C20 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.42Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.36Å | Aromatic |
| C19 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | O13 | sing | 1.36Å | 1.37Å | |
| O13 | C2 | sing | 1.43Å | 1.43Å | |
| CL9 | C8 | sing | 1.74Å | 1.73Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C8 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C10 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| O27 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C26 | O27 | 119.6° | 120.0° |
| O28 | C26 | C25 | 120.1° | 120.0° |
| O27 | C26 | C25 | 120.3° | 120.0° |
| C26 | O27 | H24 | 109.5° | 114.0° |
| C26 | C25 | C24 | 122.2° | 120.0° |
| C26 | C25 | H18 | 118.9° | 120.0° |
| C25 | C24 | C21 | 117.0° | 120.0° |
| C25 | C24 | H17 | 121.5° | 120.0° |
| C24 | C25 | H18 | 118.9° | 120.0° |
| C24 | C21 | C22 | 117.7° | 120.3° |
| C24 | C21 | C20 | 122.5° | 120.3° |
| C21 | C24 | H17 | 121.5° | 120.0° |
| C21 | C22 | N23 | 121.5° | 121.5° |
| C22 | C21 | C20 | 119.8° | 119.4° |
| C21 | C22 | H16 | 119.3° | 119.3° |
| C22 | N23 | C17 | 121.7° | 121.8° |
| N23 | C22 | H16 | 119.3° | 119.3° |
| C21 | C20 | C29 | 121.0° | 121.0° |
| C21 | C20 | C18 | 117.7° | 117.9° |
| N23 | C17 | C18 | 121.1° | 120.2° |
| N23 | C17 | C16 | 119.4° | 120.7° |
| C29 | C20 | C18 | 121.3° | 121.0° |
| C20 | C29 | C31 | 118.4° | 117.5° |
| C20 | C29 | C30 | 117.3° | 117.5° |
| C20 | C29 | H19 | 116.7° | 115.6° |
| C20 | C18 | C17 | 118.3° | 119.2° |
| C20 | C18 | C19 | 122.7° | 121.1° |
| C29 | C31 | C30 | 60.1° | 60.0° |
| C31 | C29 | C30 | 59.8° | 60.0° |
| C31 | C29 | H19 | 116.2° | 117.5° |
| C29 | C31 | H22 | 120.0° | 117.4° |
| C29 | C31 | H23 | 120.0° | 117.5° |
| C31 | C30 | C29 | 60.1° | 60.0° |
| C31 | C30 | H20 | 120.0° | 117.5° |
| C31 | C30 | H21 | 120.0° | 117.5° |
| C30 | C31 | H22 | 120.0° | 117.5° |
| C30 | C31 | H23 | 120.0° | 117.5° |
| C30 | C29 | H19 | 116.2° | 117.5° |
| C29 | C30 | H20 | 120.0° | 117.5° |
| C29 | C30 | H21 | 120.0° | 117.4° |
| C18 | C17 | C16 | 119.5° | 119.1° |
| C17 | C18 | C19 | 119.0° | 119.7° |
| C17 | C16 | C15 | 119.9° | 119.9° |
| C17 | C16 | H13 | 120.1° | 120.0° |
| C18 | C19 | C14 | 119.9° | 119.5° |
| C18 | C19 | H14 | 120.1° | 120.3° |
| C16 | C15 | C14 | 121.6° | 121.1° |
| C16 | C15 | H12 | 119.2° | 119.5° |
| C15 | C16 | H13 | 120.0° | 120.1° |
| C19 | C14 | C15 | 120.2° | 120.7° |
| C19 | C14 | O13 | 123.3° | 119.6° |
| C14 | C19 | H14 | 120.0° | 120.2° |
| C15 | C14 | O13 | 116.6° | 119.7° |
| C14 | C15 | H12 | 119.2° | 119.4° |
| C14 | O13 | C2 | 121.9° | 116.9° |
| O13 | C2 | C3 | 111.7° | 109.4° |
| O13 | C2 | C1 | 108.6° | 109.5° |
| O13 | C2 | H15 | 109.7° | 109.5° |
| CL9 | C8 | C3 | 119.1° | 120.0° |
| CL9 | C8 | C7 | 119.9° | 120.0° |
| C3 | C2 | C1 | 109.9° | 109.4° |
| C2 | C3 | C8 | 118.1° | 120.0° |
| C2 | C3 | C4 | 122.5° | 120.0° |
| C3 | C2 | H15 | 108.6° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C2 | C1 | H10 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C1 | C2 | H15 | 108.3° | 109.5° |
| C3 | C8 | C7 | 121.0° | 120.0° |
| C8 | C3 | C4 | 119.4° | 120.0° |
| C8 | C7 | C6 | 119.6° | 120.0° |
| C8 | C7 | H5 | 120.2° | 120.0° |
| C3 | C4 | C10 | 121.3° | 119.9° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C7 | C6 | H2 | 120.1° | 120.0° |
| C6 | C7 | H5 | 120.2° | 120.0° |
| C10 | C4 | C5 | 119.0° | 120.0° |
| C4 | C10 | C12 | 117.6° | 117.5° |
| C4 | C10 | C11 | 117.2° | 117.5° |
| C4 | C10 | H6 | 116.9° | 115.6° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C4 | C5 | H1 | 119.7° | 120.0° |
| C12 | C10 | C11 | 59.9° | 60.0° |
| C10 | C12 | C11 | 60.0° | 60.0° |
| C12 | C10 | H6 | 116.5° | 117.5° |
| C10 | C12 | H7 | 120.0° | 117.5° |
| C10 | C12 | H8 | 120.0° | 117.5° |
| C10 | C11 | C12 | 60.0° | 60.0° |
| C10 | C11 | H3 | 120.0° | 117.5° |
| C10 | C11 | H4 | 120.0° | 117.5° |
| C11 | C10 | H6 | 116.5° | 117.5° |
| C6 | C5 | H1 | 119.7° | 120.0° |
| C5 | C6 | H2 | 120.1° | 120.0° |
| C12 | C11 | H3 | 120.0° | 117.5° |
| C12 | C11 | H4 | 120.0° | 117.5° |
| C11 | C12 | H7 | 120.0° | 117.5° |
| C11 | C12 | H8 | 120.0° | 117.5° |
| H3 | C11 | H4 | 109.5° | 115.5° |
| H7 | C12 | H8 | 109.5° | 115.6° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 115.6° |
| H22 | C31 | H23 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C26 | O27 | C25 | 179.4° | 180.0° |
| O28 | C26 | C25 | C24 | 179.9° | 0.0° |
| O28 | C26 | C25 | H18 | 0.1° | 180.0° |
| O28 | C26 | O27 | H24 | 0.0° | 0.0° |
| O27 | C26 | C25 | C24 | 0.5° | 179.9° |
| O27 | C26 | C25 | H18 | 179.5° | 0.0° |
| C26 | C25 | C24 | H18 | 180.0° | 180.0° |
| C26 | C25 | C24 | C21 | 179.3° | 180.0° |
| C26 | C25 | C24 | H17 | 0.7° | 0.0° |
| C25 | C26 | O27 | H24 | 179.4° | 180.0° |
| C25 | C24 | C21 | H17 | 180.0° | 180.0° |
| C25 | C24 | C21 | C22 | 34.8° | 5.3° |
| C25 | C24 | C21 | C20 | 144.3° | 174.8° |
| C24 | C21 | C22 | C20 | 179.1° | 180.0° |
| C24 | C21 | C22 | N23 | 179.5° | 179.7° |
| C24 | C21 | C20 | C29 | 0.7° | 0.0° |
| C24 | C21 | C20 | C18 | 179.1° | 180.0° |
| C24 | C21 | C22 | H16 | 0.5° | 0.0° |
| C21 | C24 | C25 | H18 | 0.7° | 0.0° |
| C21 | C22 | N23 | H16 | 180.0° | 179.7° |
| C21 | C22 | N23 | C17 | 0.6° | 0.6° |
| C22 | C21 | C20 | C29 | 179.7° | 180.0° |
| C22 | C21 | C20 | C18 | 0.1° | 0.0° |
| C22 | C21 | C24 | H17 | 145.3° | 174.8° |
| N23 | C22 | C21 | C20 | 0.4° | 0.3° |
| C22 | N23 | C17 | C18 | 0.4° | 0.6° |
| C22 | N23 | C17 | C16 | 179.7° | 179.7° |
| C21 | C20 | C29 | C18 | 179.8° | 180.0° |
| C21 | C20 | C29 | C31 | 50.4° | 130.5° |
| C21 | C20 | C29 | C30 | 119.0° | 61.9° |
| C21 | C20 | C18 | C17 | 0.1° | 0.0° |
| C21 | C20 | C18 | C19 | 179.9° | 179.7° |
| C20 | C21 | C22 | H16 | 179.6° | 180.0° |
| C20 | C21 | C24 | H17 | 35.7° | 5.2° |
| C21 | C20 | C29 | H19 | 96.2° | 83.8° |
| N23 | C17 | C18 | C20 | 0.0° | 0.3° |
| N23 | C17 | C18 | C16 | 179.9° | 179.7° |
| N23 | C17 | C18 | C19 | 180.0° | 179.9° |
| N23 | C17 | C16 | C15 | 179.7° | 179.7° |
| N23 | C17 | C16 | H13 | 0.3° | 0.3° |
| C17 | N23 | C22 | H16 | 179.5° | 179.6° |
| C20 | C29 | C31 | C30 | 106.7° | 107.5° |
| C20 | C29 | C31 | H19 | 146.8° | 145.0° |
| C20 | C29 | C30 | H19 | 144.9° | 145.1° |
| C29 | C20 | C18 | C17 | 179.9° | 180.0° |
| C29 | C20 | C18 | C19 | 0.0° | 0.2° |
| C20 | C29 | C30 | H20 | 0.9° | 145.0° |
| C20 | C29 | C30 | H21 | 141.9° | 0.1° |
| C20 | C29 | C31 | H22 | 2.7° | 0.0° |
| C20 | C29 | C31 | H23 | 143.8° | 145.0° |
| C18 | C20 | C29 | C31 | 129.8° | 49.5° |
| C18 | C20 | C29 | C30 | 61.2° | 118.1° |
| C20 | C18 | C17 | C19 | 180.0° | 179.7° |
| C20 | C18 | C17 | C16 | 179.9° | 180.0° |
| C20 | C18 | C19 | C14 | 179.9° | 179.7° |
| C20 | C18 | C19 | H14 | 0.1° | 0.3° |
| C18 | C20 | C29 | H19 | 83.6° | 96.2° |
| C29 | C31 | C30 | H22 | 109.5° | 107.4° |
| C29 | C31 | C30 | H23 | 109.5° | 107.5° |
| C31 | C29 | C30 | H19 | 106.5° | 107.4° |
| C29 | C31 | C30 | H20 | 109.5° | 107.5° |
| C29 | C31 | C30 | H21 | 109.5° | 107.4° |
| C29 | C31 | H22 | H23 | 144.7° | 145.7° |
| C31 | C30 | H20 | H21 | 144.7° | 145.7° |
| C30 | C31 | H22 | H23 | 144.7° | 145.8° |
| C29 | C30 | H20 | H21 | 144.7° | 145.6° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C17 | C18 | C19 | C14 | 0.1° | 0.5° |
| C18 | C17 | C16 | H13 | 179.6° | 180.0° |
| C17 | C18 | C19 | H14 | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C17 | C16 | C15 | H12 | 179.5° | 180.0° |
| C18 | C19 | C14 | H14 | 180.0° | 179.4° |
| C18 | C19 | C14 | C15 | 0.0° | 0.5° |
| C18 | C19 | C14 | O13 | 179.7° | 179.7° |
| C16 | C15 | C14 | C19 | 0.3° | 0.2° |
| C16 | C15 | C14 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | O13 | 180.0° | 180.0° |
| C19 | C14 | C15 | O13 | 179.7° | 179.7° |
| C19 | C14 | O13 | C2 | 6.4° | 174.2° |
| C19 | C14 | C15 | H12 | 179.7° | 179.8° |
| C15 | C14 | O13 | C2 | 173.9° | 5.5° |
| C14 | C15 | C16 | H13 | 179.5° | 180.0° |
| C15 | C14 | C19 | H14 | 180.0° | 180.0° |
| C14 | O13 | C2 | C3 | 72.0° | 147.3° |
| C14 | O13 | C2 | C1 | 166.6° | 92.7° |
| O13 | C14 | C15 | H12 | 0.0° | 0.0° |
| O13 | C14 | C19 | H14 | 0.3° | 0.3° |
| C14 | O13 | C2 | H15 | 48.4° | 27.4° |
| O13 | C2 | C3 | C1 | 120.6° | 120.0° |
| O13 | C2 | C3 | H15 | 121.1° | 120.0° |
| O13 | C2 | C1 | H15 | 119.0° | 120.1° |
| O13 | C2 | C3 | C8 | 145.2° | 45.0° |
| O13 | C2 | C3 | C4 | 34.4° | 135.4° |
| O13 | C2 | C1 | H9 | 180.0° | 59.9° |
| O13 | C2 | C1 | H10 | 60.0° | 179.9° |
| O13 | C2 | C1 | H11 | 60.0° | 60.0° |
| CL9 | C8 | C3 | C2 | 0.4° | 0.4° |
| CL9 | C8 | C3 | C7 | 179.9° | 179.6° |
| CL9 | C8 | C3 | C4 | 179.9° | 180.0° |
| CL9 | C8 | C7 | C6 | 179.9° | 179.8° |
| CL9 | C8 | C7 | H5 | 0.1° | 0.2° |
| C3 | C2 | C1 | H15 | 118.5° | 120.0° |
| C2 | C3 | C8 | C4 | 179.6° | 179.6° |
| C2 | C3 | C8 | C7 | 179.7° | 180.0° |
| C2 | C3 | C4 | C10 | 0.5° | 0.2° |
| C2 | C3 | C4 | C5 | 179.6° | 180.0° |
| C3 | C2 | C1 | H9 | 57.5° | 60.0° |
| C3 | C2 | C1 | H10 | 177.6° | 60.0° |
| C3 | C2 | C1 | H11 | 62.4° | 179.9° |
| C1 | C2 | C3 | C8 | 94.2° | 75.1° |
| C1 | C2 | C3 | C4 | 86.1° | 104.5° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 119.9° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C3 | C8 | C7 | C6 | 0.1° | 0.2° |
| C8 | C3 | C4 | C10 | 179.9° | 179.8° |
| C8 | C3 | C4 | C5 | 0.0° | 0.4° |
| C3 | C8 | C7 | H5 | 179.9° | 179.7° |
| C8 | C3 | C2 | H15 | 24.1° | 164.9° |
| C7 | C8 | C3 | C4 | 0.1° | 0.4° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.0° | 0.0° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C3 | C4 | C10 | C5 | 179.9° | 179.7° |
| C3 | C4 | C10 | C12 | 175.3° | 120.3° |
| C3 | C4 | C10 | C11 | 106.9° | 171.2° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H1 | 179.9° | 179.8° |
| C3 | C4 | C10 | H6 | 38.6° | 25.5° |
| C4 | C3 | C2 | H15 | 155.5° | 15.5° |
| C7 | C6 | C5 | C4 | 0.0° | 0.1° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C4 | C10 | C12 | C11 | 107.1° | 107.5° |
| C4 | C10 | C12 | H6 | 146.2° | 145.1° |
| C4 | C10 | C11 | H6 | 145.6° | 145.1° |
| C10 | C4 | C5 | C6 | 179.8° | 180.0° |
| C10 | C4 | C5 | H1 | 0.2° | 0.0° |
| C4 | C10 | C11 | H3 | 1.8° | 0.0° |
| C4 | C10 | C11 | H4 | 142.9° | 145.0° |
| C4 | C10 | C12 | H7 | 143.4° | 0.0° |
| C4 | C10 | C12 | H8 | 2.4° | 145.1° |
| C5 | C4 | C10 | C12 | 4.5° | 60.0° |
| C5 | C4 | C10 | C11 | 73.0° | 8.6° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | H2 | 179.9° | 179.9° |
| C5 | C4 | C10 | H6 | 141.5° | 154.3° |
| C12 | C10 | C11 | H6 | 106.7° | 107.5° |
| C10 | C12 | C11 | H7 | 109.5° | 107.5° |
| C10 | C12 | C11 | H8 | 109.5° | 107.5° |
| C12 | C10 | C11 | H3 | 109.5° | 107.5° |
| C12 | C10 | C11 | H4 | 109.5° | 107.5° |
| C10 | C12 | H7 | H8 | 144.7° | 145.7° |
| C10 | C11 | H3 | H4 | 144.8° | 145.7° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C12 | C11 | H3 | H4 | 144.7° | 145.7° |
| C11 | C12 | H7 | H8 | 144.7° | 145.7° |
| H1 | C5 | C6 | H2 | 0.1° | 0.1° |
| H2 | C6 | C7 | H5 | 0.0° | 0.0° |
| H3 | C11 | C10 | H6 | 143.8° | 145.0° |
| H3 | C11 | C12 | H7 | 141.1° | 0.0° |
| H3 | C11 | C12 | H8 | 0.0° | 145.0° |
| H4 | C11 | C10 | H6 | 2.8° | 0.0° |
| H4 | C11 | C12 | H7 | 0.0° | 145.0° |
| H4 | C11 | C12 | H8 | 141.0° | 0.0° |
| H6 | C10 | C12 | H7 | 2.8° | 145.1° |
| H6 | C10 | C12 | H8 | 143.8° | 0.0° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H9 | C1 | C2 | H15 | 61.0° | 180.0° |
| H10 | C1 | C2 | H15 | 59.0° | 60.0° |
| H11 | C1 | C2 | H15 | 179.1° | 60.1° |
| H12 | C15 | C16 | H13 | 0.5° | 0.0° |
| H17 | C24 | C25 | H18 | 179.3° | NaN° |
| H19 | C29 | C30 | H20 | 144.0° | 0.1° |
| H19 | C29 | C30 | H21 | 3.0° | 145.0° |
| H19 | C29 | C31 | H22 | 144.1° | 145.0° |
| H19 | C29 | C31 | H23 | 3.0° | 0.0° |
| H20 | C30 | C31 | H22 | 0.0° | 145.1° |
| H20 | C30 | C31 | H23 | 141.0° | 0.0° |
| H21 | C30 | C31 | H22 | 140.9° | 0.0° |
| H21 | C30 | C31 | H23 | 0.0° | 145.1° |
