6ZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C11 | doub | 1.22Å | 1.24Å | |
| O10 | C11 | sing | 1.34Å | 1.38Å | |
| O10 | C2 | sing | 1.35Å | 1.37Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.41Å | 1.47Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.48Å | Aromatic |
| C12 | C14 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | doub | 1.36Å | 1.47Å | |
| O7 | C6 | sing | 1.35Å | 1.31Å | Aromatic |
| O7 | C8 | sing | 1.35Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.47Å | Aromatic |
| C3 | C13 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.50Å | |
| C8 | C19 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | doub | 1.34Å | 1.49Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C9 | sing | 1.47Å | 1.50Å | Aromatic |
| C9 | C20 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C11 | O10 | 121.0° | 119.1° |
| O18 | C11 | C12 | 116.9° | 119.1° |
| C11 | O10 | C2 | 121.6° | 121.5° |
| O10 | C11 | C12 | 122.1° | 121.8° |
| O10 | C2 | C1 | 119.0° | 120.3° |
| O10 | C2 | C3 | 121.4° | 119.7° |
| C16 | C15 | C14 | 111.2° | 109.5° |
| C16 | C15 | H4 | 109.0° | 109.5° |
| C16 | C15 | H5 | 109.0° | 109.5° |
| C15 | C16 | H6 | 109.5° | 109.4° |
| C15 | C16 | H7 | 109.5° | 109.4° |
| C15 | C16 | H8 | 109.5° | 109.5° |
| C15 | C14 | C12 | 107.9° | 109.5° |
| C15 | C14 | H2 | 109.9° | 109.5° |
| C15 | C14 | H3 | 109.9° | 109.5° |
| C14 | C15 | H4 | 109.0° | 109.5° |
| C14 | C15 | H5 | 109.0° | 109.5° |
| C11 | C12 | C14 | 118.8° | 120.1° |
| C11 | C12 | C13 | 118.1° | 119.9° |
| C2 | C1 | C6 | 118.5° | 120.1° |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C2 | C1 | H18 | 120.7° | 119.9° |
| C1 | C6 | O7 | 125.9° | 133.0° |
| C1 | C6 | C5 | 121.3° | 119.9° |
| C6 | C1 | H18 | 120.7° | 120.0° |
| C2 | C3 | C13 | 118.0° | 119.0° |
| C2 | C3 | C4 | 121.7° | 120.3° |
| C14 | C12 | C13 | 123.2° | 120.1° |
| C12 | C14 | H2 | 109.9° | 109.5° |
| C12 | C14 | H3 | 109.9° | 109.4° |
| C12 | C13 | C3 | 118.8° | 118.2° |
| C12 | C13 | C17 | 121.4° | 120.9° |
| C6 | O7 | C8 | 110.7° | 111.0° |
| O7 | C6 | C5 | 112.9° | 107.1° |
| O7 | C8 | C19 | 116.0° | 124.9° |
| O7 | C8 | C9 | 108.7° | 110.2° |
| C6 | C5 | C4 | 121.3° | 120.4° |
| C6 | C5 | C9 | 102.7° | 105.5° |
| C13 | C3 | C4 | 120.3° | 120.7° |
| C3 | C13 | C17 | 119.8° | 120.9° |
| C3 | C4 | C5 | 117.5° | 119.3° |
| C3 | C4 | H1 | 121.2° | 120.4° |
| C13 | C17 | H9 | 109.5° | 109.5° |
| C13 | C17 | H10 | 109.5° | 109.4° |
| C13 | C17 | H11 | 109.5° | 109.5° |
| C19 | C8 | C9 | 135.4° | 124.9° |
| C8 | C19 | H15 | 109.5° | 109.5° |
| C8 | C19 | H16 | 109.5° | 109.5° |
| C8 | C19 | H17 | 109.5° | 109.5° |
| C8 | C9 | C5 | 105.0° | 106.2° |
| C8 | C9 | C20 | 135.3° | 126.9° |
| C4 | C5 | C9 | 135.9° | 134.1° |
| C5 | C4 | H1 | 121.2° | 120.3° |
| C5 | C9 | C20 | 119.6° | 126.9° |
| C9 | C20 | H12 | 109.5° | 109.5° |
| C9 | C20 | H13 | 109.5° | 109.4° |
| C9 | C20 | H14 | 109.4° | 109.4° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C16 | H7 | 109.4° | 109.4° |
| H6 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.4° | 109.5° |
| H9 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H12 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.4° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C11 | O10 | C12 | 179.9° | 179.9° |
| O18 | C11 | O10 | C2 | 178.8° | 179.9° |
| O18 | C11 | C12 | C14 | 0.7° | 0.0° |
| O18 | C11 | C12 | C13 | 179.5° | 180.0° |
| C11 | O10 | C2 | C1 | 178.8° | 179.7° |
| C11 | O10 | C2 | C3 | 1.1° | 0.0° |
| O10 | C11 | C12 | C14 | 179.2° | 180.0° |
| O10 | C11 | C12 | C13 | 0.6° | 0.1° |
| C2 | O10 | C11 | C12 | 1.3° | 0.0° |
| O10 | C2 | C1 | C3 | 179.9° | 179.7° |
| O10 | C2 | C1 | C6 | 179.5° | 179.7° |
| O10 | C2 | C3 | C13 | 0.1° | 0.0° |
| O10 | C2 | C3 | C4 | 180.0° | 180.0° |
| O10 | C2 | C1 | H18 | 0.5° | 0.3° |
| C16 | C15 | C14 | H4 | 120.2° | 120.0° |
| C16 | C15 | C14 | H5 | 120.3° | 120.0° |
| C16 | C15 | C14 | C12 | 157.8° | 180.0° |
| C16 | C15 | C14 | H2 | 38.0° | 60.0° |
| C16 | C15 | C14 | H3 | 82.5° | 60.0° |
| C16 | C15 | H4 | H5 | 119.2° | 120.0° |
| C15 | C16 | H6 | H7 | 120.0° | 119.9° |
| C15 | C16 | H6 | H8 | 120.0° | 120.0° |
| C15 | C16 | H7 | H8 | 120.0° | 120.0° |
| C15 | C14 | C12 | C11 | 79.6° | 85.0° |
| C15 | C14 | C12 | H2 | 119.7° | 120.0° |
| C15 | C14 | C12 | H3 | 119.7° | 120.0° |
| C15 | C14 | C12 | C13 | 100.2° | 95.0° |
| C15 | C14 | H2 | H3 | 120.8° | 120.1° |
| C14 | C15 | H4 | H5 | 119.2° | 120.0° |
| C14 | C15 | C16 | H6 | 180.0° | 59.9° |
| C14 | C15 | C16 | H7 | 60.0° | 60.0° |
| C14 | C15 | C16 | H8 | 60.0° | 180.0° |
| C11 | C12 | C14 | C13 | 179.8° | 180.0° |
| C11 | C12 | C13 | C3 | 0.3° | 0.1° |
| C11 | C12 | C13 | C17 | 179.5° | 180.0° |
| C11 | C12 | C14 | H2 | 160.6° | 155.0° |
| C11 | C12 | C14 | H3 | 40.1° | 35.0° |
| C2 | C1 | C6 | H18 | 180.0° | 179.9° |
| C2 | C1 | C6 | O7 | 179.3° | 179.5° |
| C2 | C1 | C6 | C5 | 0.5° | 0.4° |
| C1 | C2 | C3 | C13 | 179.8° | 179.7° |
| C1 | C2 | C3 | C4 | 0.1° | 0.3° |
| C6 | C1 | C2 | C3 | 0.6° | 0.1° |
| C1 | C6 | O7 | C5 | 179.8° | 179.2° |
| C1 | C6 | O7 | C8 | 179.9° | 179.4° |
| C1 | C6 | C5 | C4 | 0.1° | 0.7° |
| C1 | C6 | C5 | C9 | 180.0° | 179.7° |
| C2 | C3 | C13 | C12 | 0.5° | 0.1° |
| C2 | C3 | C13 | C4 | 179.9° | 179.9° |
| C2 | C3 | C13 | C17 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | H1 | 179.5° | 179.9° |
| C3 | C2 | C1 | H18 | 179.4° | 180.0° |
| C14 | C12 | C13 | C3 | 179.9° | 179.9° |
| C14 | C12 | C13 | C17 | 0.7° | 0.1° |
| C12 | C14 | H2 | H3 | 120.7° | 119.9° |
| C12 | C14 | C15 | H4 | 82.0° | 60.0° |
| C12 | C14 | C15 | H5 | 37.5° | 60.0° |
| C12 | C13 | C3 | C17 | 179.2° | 179.9° |
| C12 | C13 | C3 | C4 | 179.3° | 180.0° |
| C13 | C12 | C14 | H2 | 19.6° | 25.0° |
| C13 | C12 | C14 | H3 | 140.1° | 145.0° |
| C12 | C13 | C17 | H9 | 180.0° | 90.0° |
| C12 | C13 | C17 | H10 | 60.0° | 150.0° |
| C12 | C13 | C17 | H11 | 60.0° | 30.0° |
| C6 | O7 | C8 | C19 | 179.0° | 179.8° |
| C6 | O7 | C8 | C9 | 0.0° | 0.1° |
| O7 | C6 | C5 | C4 | 179.9° | 180.0° |
| O7 | C6 | C5 | C9 | 0.2° | 0.4° |
| O7 | C6 | C1 | H18 | 0.7° | 0.4° |
| C8 | O7 | C6 | C5 | 0.1° | 0.2° |
| O7 | C8 | C19 | C9 | 178.7° | 179.6° |
| O7 | C8 | C9 | C5 | 0.1° | 0.3° |
| O7 | C8 | C9 | C20 | 179.6° | 179.7° |
| O7 | C8 | C19 | H15 | 0.0° | 90.4° |
| O7 | C8 | C19 | H16 | 120.0° | 29.6° |
| O7 | C8 | C19 | H17 | 120.0° | 149.6° |
| C6 | C5 | C4 | C3 | 0.6° | 0.5° |
| C6 | C5 | C9 | C8 | 0.2° | 0.4° |
| C6 | C5 | C4 | C9 | 179.8° | 179.5° |
| C6 | C5 | C9 | C20 | 179.6° | 179.6° |
| C6 | C5 | C4 | H1 | 179.4° | 179.5° |
| C5 | C6 | C1 | H18 | 179.5° | 179.5° |
| C13 | C3 | C4 | C5 | 179.6° | 179.9° |
| C13 | C3 | C4 | H1 | 0.4° | 0.0° |
| C3 | C13 | C17 | H9 | 0.8° | 89.9° |
| C3 | C13 | C17 | H10 | 120.8° | 30.1° |
| C3 | C13 | C17 | H11 | 119.2° | 150.1° |
| C4 | C3 | C13 | C17 | 0.1° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | C9 | 179.5° | 180.0° |
| C13 | C17 | H9 | H10 | 120.0° | 120.0° |
| C13 | C17 | H9 | H11 | 120.0° | 120.0° |
| C13 | C17 | H10 | H11 | 120.0° | 120.0° |
| C19 | C8 | C9 | C5 | 178.9° | 180.0° |
| C19 | C8 | C9 | C20 | 0.8° | 0.0° |
| C8 | C19 | H15 | H16 | 120.0° | 120.1° |
| C8 | C19 | H15 | H17 | 120.0° | 120.0° |
| C8 | C19 | H16 | H17 | 120.0° | 120.1° |
| C8 | C9 | C5 | C4 | 180.0° | 180.0° |
| C8 | C9 | C5 | C20 | 179.7° | 180.0° |
| C8 | C9 | C20 | H12 | 90.2° | 90.0° |
| C8 | C9 | C20 | H13 | 149.8° | 150.0° |
| C8 | C9 | C20 | H14 | 29.8° | 30.0° |
| C9 | C8 | C19 | H15 | 178.7° | 90.0° |
| C9 | C8 | C19 | H16 | 61.3° | 150.0° |
| C9 | C8 | C19 | H17 | 58.7° | 30.0° |
| C4 | C5 | C9 | C20 | 0.3° | 0.0° |
| C9 | C5 | C4 | H1 | 0.5° | 0.1° |
| C5 | C9 | C20 | H12 | 90.1° | 90.0° |
| C5 | C9 | C20 | H13 | 29.9° | 30.0° |
| C5 | C9 | C20 | H14 | 149.9° | 150.0° |
| C9 | C20 | H12 | H13 | 120.0° | 120.0° |
| C9 | C20 | H12 | H14 | 120.0° | 120.0° |
| C9 | C20 | H13 | H14 | 120.0° | 119.9° |
| H2 | C14 | C15 | H4 | 158.3° | 60.0° |
| H2 | C14 | C15 | H5 | 82.2° | 180.0° |
| H3 | C14 | C15 | H4 | 37.8° | 180.0° |
| H3 | C14 | C15 | H5 | 157.3° | 60.0° |
| H4 | C15 | C16 | H6 | 59.7° | 180.0° |
| H4 | C15 | C16 | H7 | 60.3° | 60.1° |
| H4 | C15 | C16 | H8 | 179.8° | 60.0° |
| H5 | C15 | C16 | H6 | 59.8° | 60.1° |
| H5 | C15 | C16 | H7 | 179.7° | 180.0° |
| H5 | C15 | C16 | H8 | 60.3° | 60.0° |
| H6 | C16 | H7 | H8 | 120.0° | 120.1° |
| H9 | C17 | H10 | H11 | 120.0° | 120.0° |
| H12 | C20 | H13 | H14 | 120.0° | 120.0° |
| H15 | C19 | H16 | H17 | 120.0° | 119.9° |
