6Z6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.39Å | |
| C1 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| N1 | C16 | trip | 1.14Å | 1.16Å | |
| C16 | C15 | sing | 1.43Å | 1.41Å | |
| C7 | C15 | sing | 1.50Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| O1 | C9 | doub | 1.22Å | 1.23Å | |
| C15 | C14 | doub | 1.35Å | 1.38Å | |
| C8 | C9 | sing | 1.41Å | 1.50Å | |
| C8 | C13 | doub | 1.35Å | 1.37Å | |
| C9 | C10 | sing | 1.50Å | 1.54Å | |
| C14 | N | sing | 1.37Å | 1.37Å | |
| C14 | O2 | sing | 1.34Å | 1.39Å | |
| C24 | C25 | doub | 1.36Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | O2 | sing | 1.35Å | 1.37Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.41Å | 1.45Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C17 | sing | 1.51Å | 1.54Å | |
| C26 | C17 | doub | 1.40Å | 1.49Å | Aromatic |
| C26 | C21 | sing | 1.42Å | 1.45Å | Aromatic |
| C17 | C18 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.43Å | Aromatic |
| C21 | C20 | doub | 1.40Å | 1.43Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.43Å | Aromatic |
| C20 | C19 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 117.2° | 117.0° |
| O | C | H7 | 109.5° | 109.5° |
| O | C | H8 | 109.5° | 109.5° |
| O | C | H9 | 109.5° | 109.5° |
| O | C1 | C2 | 117.1° | 120.0° |
| O | C1 | C6 | 122.0° | 120.1° |
| C2 | C1 | C6 | 120.9° | 119.9° |
| C1 | C2 | C3 | 118.9° | 120.0° |
| C1 | C2 | H1 | 120.6° | 120.0° |
| C1 | C6 | C5 | 118.6° | 119.9° |
| C1 | C6 | H3 | 120.7° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C3 | C2 | H1 | 120.5° | 120.0° |
| C2 | C3 | H6 | 119.7° | 120.0° |
| C6 | C5 | C4 | 122.1° | 120.1° |
| C6 | C5 | H2 | 118.9° | 119.9° |
| C5 | C6 | H3 | 120.7° | 120.0° |
| C3 | C4 | C5 | 118.7° | 120.1° |
| C3 | C4 | C7 | 121.1° | 119.9° |
| C4 | C3 | H6 | 119.7° | 120.0° |
| C5 | C4 | C7 | 120.2° | 119.9° |
| C4 | C5 | H2 | 118.9° | 120.0° |
| C4 | C7 | C15 | 106.5° | 109.4° |
| C4 | C7 | C8 | 107.9° | 109.3° |
| C4 | C7 | H22 | 110.7° | 109.4° |
| N1 | C16 | C15 | 179.0° | 180.0° |
| C16 | C15 | C7 | 117.6° | 119.8° |
| C16 | C15 | C14 | 120.3° | 119.9° |
| C15 | C7 | C8 | 110.2° | 110.1° |
| C7 | C15 | C14 | 122.0° | 120.4° |
| C15 | C7 | H22 | 110.7° | 109.4° |
| C7 | C8 | C9 | 118.9° | 118.1° |
| C7 | C8 | C13 | 121.4° | 120.6° |
| C8 | C7 | H22 | 110.7° | 109.2° |
| O1 | C9 | C8 | 122.9° | 119.4° |
| O1 | C9 | C10 | 119.4° | 119.5° |
| C15 | C14 | N | 127.6° | 119.3° |
| C15 | C14 | O2 | 122.7° | 121.5° |
| C9 | C8 | C13 | 119.7° | 121.3° |
| C8 | C9 | C10 | 117.6° | 121.2° |
| C8 | C13 | O2 | 124.4° | 121.4° |
| C8 | C13 | C12 | 126.5° | 120.7° |
| C9 | C10 | C11 | 115.6° | 108.8° |
| C9 | C10 | H10 | 107.9° | 109.5° |
| C9 | C10 | H11 | 107.9° | 109.5° |
| N | C14 | O2 | 109.3° | 119.3° |
| C14 | N | H4 | 109.5° | 120.0° |
| C14 | N | H5 | 109.5° | 120.0° |
| C14 | O2 | C13 | 118.1° | 119.8° |
| C25 | C24 | C23 | 120.8° | 121.0° |
| C24 | C25 | C26 | 122.0° | 119.7° |
| C25 | C24 | H20 | 119.6° | 119.5° |
| C24 | C25 | H21 | 119.0° | 120.1° |
| C24 | C23 | C22 | 119.7° | 121.0° |
| C24 | C23 | H19 | 120.2° | 119.5° |
| C23 | C24 | H20 | 119.6° | 119.5° |
| O2 | C13 | C12 | 109.0° | 117.9° |
| C13 | C12 | C11 | 112.3° | 109.6° |
| C13 | C12 | H13 | 108.8° | 109.4° |
| C13 | C12 | H14 | 108.7° | 109.5° |
| C10 | C11 | C12 | 113.2° | 108.5° |
| C10 | C11 | C17 | 113.8° | 109.6° |
| C11 | C10 | H10 | 107.9° | 109.6° |
| C11 | C10 | H11 | 107.9° | 109.6° |
| C10 | C11 | H12 | 106.1° | 109.6° |
| C25 | C26 | C17 | 125.6° | 121.3° |
| C25 | C26 | C21 | 116.1° | 119.3° |
| C26 | C25 | H21 | 119.0° | 120.2° |
| C23 | C22 | C21 | 120.7° | 119.7° |
| C23 | C22 | H18 | 119.6° | 120.2° |
| C22 | C23 | H19 | 120.1° | 119.5° |
| C12 | C11 | C17 | 111.1° | 109.7° |
| C12 | C11 | H12 | 106.0° | 109.8° |
| C11 | C12 | H13 | 108.8° | 109.4° |
| C11 | C12 | H14 | 108.8° | 109.4° |
| C11 | C17 | C26 | 125.5° | 120.2° |
| C11 | C17 | C18 | 116.7° | 120.1° |
| C17 | C11 | H12 | 106.0° | 109.6° |
| C17 | C26 | C21 | 118.3° | 119.4° |
| C26 | C17 | C18 | 117.7° | 119.7° |
| C26 | C21 | C22 | 120.7° | 119.3° |
| C26 | C21 | C20 | 120.5° | 119.3° |
| C17 | C18 | C19 | 122.6° | 121.0° |
| C17 | C18 | H15 | 118.7° | 119.6° |
| C22 | C21 | C20 | 118.7° | 121.3° |
| C21 | C22 | H18 | 119.6° | 120.1° |
| C21 | C20 | C19 | 120.3° | 119.7° |
| C21 | C20 | H17 | 119.9° | 120.1° |
| C18 | C19 | C20 | 120.5° | 121.0° |
| C19 | C18 | H15 | 118.7° | 119.5° |
| C18 | C19 | H16 | 119.8° | 119.5° |
| C20 | C19 | H16 | 119.7° | 119.5° |
| C19 | C20 | H17 | 119.8° | 120.2° |
| H4 | N | H5 | 109.5° | 120.0° |
| H7 | C | H8 | 109.5° | 109.5° |
| H7 | C | H9 | 109.4° | 109.5° |
| H8 | C | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.4° | 109.7° |
| H13 | C12 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 100.5° | 180.0° |
| C | O | C1 | C6 | 82.4° | 0.0° |
| O | C | H7 | H8 | 120.0° | 120.0° |
| O | C | H7 | H9 | 120.0° | 120.0° |
| O | C | H8 | H9 | 120.0° | 120.0° |
| O | C1 | C2 | C6 | 177.1° | 180.0° |
| O | C1 | C2 | C3 | 176.0° | 180.0° |
| O | C1 | C6 | C5 | 176.1° | 179.5° |
| O | C1 | C2 | H1 | 4.0° | 0.2° |
| O | C1 | C6 | H3 | 3.9° | 0.3° |
| C1 | O | C | H7 | 180.0° | 180.0° |
| C1 | O | C | H8 | 60.0° | 60.0° |
| C1 | O | C | H9 | 60.0° | 60.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.9° | 0.5° |
| C1 | C2 | C3 | C4 | 0.3° | 0.3° |
| C2 | C1 | C6 | H3 | 179.1° | 179.7° |
| C1 | C2 | C3 | H6 | 179.7° | 179.8° |
| C6 | C1 | C2 | C3 | 1.1° | 0.0° |
| C1 | C6 | C5 | H3 | 180.0° | 179.2° |
| C1 | C6 | C5 | C4 | 0.1° | 0.8° |
| C6 | C1 | C2 | H1 | 178.9° | 179.8° |
| C1 | C6 | C5 | H2 | 179.9° | 179.7° |
| C2 | C3 | C4 | H6 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C2 | C3 | C4 | C7 | 177.8° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.5° |
| C6 | C5 | C4 | H2 | 180.0° | 179.6° |
| C6 | C5 | C4 | C7 | 177.6° | 179.5° |
| C3 | C4 | C5 | C7 | 178.6° | 180.0° |
| C3 | C4 | C7 | C15 | 101.4° | 60.0° |
| C3 | C4 | C7 | C8 | 140.4° | 60.6° |
| C4 | C3 | C2 | H1 | 179.7° | 179.9° |
| C3 | C4 | C5 | H2 | 179.0° | 179.9° |
| C3 | C4 | C7 | H22 | 19.1° | 179.8° |
| C5 | C4 | C7 | C15 | 77.2° | 120.0° |
| C5 | C4 | C7 | C8 | 41.1° | 119.4° |
| C4 | C5 | C6 | H3 | 179.8° | 180.0° |
| C5 | C4 | C3 | H6 | 179.3° | 180.0° |
| C5 | C4 | C7 | H22 | 162.4° | 0.2° |
| C4 | C7 | C15 | C16 | 81.1° | 78.1° |
| C4 | C7 | C15 | C8 | 116.8° | 120.1° |
| C4 | C7 | C15 | H22 | 120.4° | 119.8° |
| C4 | C7 | C8 | H22 | 121.3° | 119.7° |
| C4 | C7 | C15 | C14 | 103.5° | 101.8° |
| C4 | C7 | C8 | C9 | 74.7° | 78.5° |
| C4 | C7 | C8 | C13 | 107.3° | 101.6° |
| C7 | C4 | C5 | H2 | 2.4° | 0.1° |
| C7 | C4 | C3 | H6 | 2.2° | 0.0° |
| N1 | C16 | C15 | C7 | 131.0° | 179.7° |
| N1 | C16 | C15 | C14 | 44.5° | 0.2° |
| C16 | C15 | C7 | C14 | 175.4° | 179.9° |
| C16 | C15 | C7 | C8 | 162.1° | 161.7° |
| C16 | C15 | C14 | N | 6.9° | 0.3° |
| C16 | C15 | C14 | O2 | 164.8° | 179.7° |
| C16 | C15 | C7 | H22 | 39.4° | 41.7° |
| C15 | C7 | C8 | H22 | 122.8° | 120.2° |
| C15 | C7 | C8 | C9 | 169.4° | 161.3° |
| C15 | C7 | C8 | C13 | 8.6° | 18.5° |
| C7 | C15 | C14 | N | 177.8° | 179.7° |
| C7 | C15 | C14 | O2 | 10.6° | 0.2° |
| C7 | C8 | C9 | O1 | 6.3° | 1.2° |
| C8 | C7 | C15 | C14 | 13.3° | 18.3° |
| C7 | C8 | C9 | C13 | 178.0° | 179.9° |
| C7 | C8 | C9 | C10 | 176.8° | 178.8° |
| C7 | C8 | C13 | O2 | 0.8° | 0.1° |
| C7 | C8 | C13 | C12 | 178.0° | 179.6° |
| O1 | C9 | C8 | C10 | 176.9° | 180.0° |
| O1 | C9 | C8 | C13 | 171.7° | 178.9° |
| O1 | C9 | C10 | C11 | 151.3° | 152.2° |
| O1 | C9 | C10 | H10 | 30.4° | 32.4° |
| O1 | C9 | C10 | H11 | 87.8° | 88.0° |
| C15 | C14 | N | O2 | 172.5° | 180.0° |
| C15 | C14 | O2 | C13 | 1.4° | 21.4° |
| C15 | C14 | N | H4 | 172.5° | 180.0° |
| C15 | C14 | N | H5 | 67.4° | 0.0° |
| C14 | C15 | C7 | H22 | 136.1° | 138.4° |
| C9 | C8 | C13 | O2 | 177.2° | 179.8° |
| C9 | C8 | C13 | C12 | 4.0° | 0.5° |
| C8 | C9 | C10 | C11 | 25.7° | 27.8° |
| C8 | C9 | C10 | H10 | 146.6° | 147.6° |
| C8 | C9 | C10 | H11 | 95.2° | 92.0° |
| C9 | C8 | C7 | H22 | 46.6° | 41.2° |
| C13 | C8 | C9 | C10 | 5.1° | 1.1° |
| C8 | C13 | O2 | C14 | 3.6° | 21.3° |
| C8 | C13 | O2 | C12 | 179.0° | 179.8° |
| C8 | C13 | C12 | C11 | 22.3° | 31.0° |
| C8 | C13 | C12 | H13 | 98.1° | 89.0° |
| C8 | C13 | C12 | H14 | 142.8° | 151.1° |
| C13 | C8 | C7 | H22 | 131.4° | 138.7° |
| C9 | C10 | C11 | H10 | 120.9° | 119.8° |
| C9 | C10 | C11 | H11 | 120.9° | 119.8° |
| C9 | C10 | C11 | C12 | 43.7° | 56.6° |
| C9 | C10 | C11 | C17 | 171.7° | 176.3° |
| C9 | C10 | H10 | H11 | 117.2° | 120.2° |
| C9 | C10 | C11 | H12 | 72.1° | 63.3° |
| N | C14 | O2 | C13 | 174.4° | 158.5° |
| C14 | N | H4 | H5 | 120.0° | 180.0° |
| C14 | O2 | C13 | C12 | 177.4° | 159.0° |
| O2 | C14 | N | H4 | 0.0° | 0.0° |
| O2 | C14 | N | H5 | 120.0° | 180.0° |
| C25 | C24 | C23 | H20 | 180.0° | 179.2° |
| C24 | C25 | C26 | H21 | 180.0° | 179.2° |
| C25 | C24 | C23 | C22 | 0.5° | 0.6° |
| C24 | C25 | C26 | C17 | 178.0° | 179.2° |
| C24 | C25 | C26 | C21 | 1.2° | 0.5° |
| C25 | C24 | C23 | H19 | 179.5° | 179.5° |
| C23 | C24 | C25 | C26 | 0.5° | 0.8° |
| C24 | C23 | C22 | H19 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.7° | 0.1° |
| C24 | C23 | C22 | H18 | 179.3° | 180.0° |
| C23 | C24 | C25 | H21 | 179.5° | 180.0° |
| O2 | C13 | C12 | C11 | 158.7° | 149.2° |
| O2 | C13 | C12 | H13 | 80.8° | 90.8° |
| O2 | C13 | C12 | H14 | 38.3° | 29.1° |
| C13 | C12 | C11 | C10 | 40.7° | 58.6° |
| C13 | C12 | C11 | H13 | 120.5° | 120.0° |
| C13 | C12 | C11 | H14 | 120.4° | 120.1° |
| C13 | C12 | C11 | C17 | 170.2° | 178.3° |
| C13 | C12 | C11 | H12 | 75.1° | 61.1° |
| C13 | C12 | H13 | H14 | 118.7° | 120.0° |
| C10 | C11 | C12 | C17 | 129.5° | 119.7° |
| C10 | C11 | C12 | H12 | 115.9° | 119.8° |
| C10 | C11 | C17 | H12 | 116.2° | 120.4° |
| C10 | C11 | C17 | C26 | 89.4° | 125.5° |
| C10 | C11 | C17 | C18 | 94.8° | 54.9° |
| C11 | C10 | H10 | H11 | 117.2° | 120.4° |
| C10 | C11 | C12 | H13 | 79.7° | 61.3° |
| C10 | C11 | C12 | H14 | 161.2° | 178.7° |
| C25 | C26 | C17 | C11 | 5.3° | 0.1° |
| C25 | C26 | C17 | C21 | 179.1° | 179.7° |
| C25 | C26 | C17 | C18 | 178.9° | 179.7° |
| C25 | C26 | C21 | C22 | 1.0° | 0.0° |
| C25 | C26 | C21 | C20 | 179.4° | 179.8° |
| C26 | C25 | C24 | H20 | 179.5° | 180.0° |
| C23 | C22 | C21 | C26 | 0.1° | 0.2° |
| C23 | C22 | C21 | H18 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 179.7° | 180.0° |
| C22 | C23 | C24 | H20 | 179.5° | 179.8° |
| C12 | C11 | C17 | H12 | 114.6° | 120.6° |
| C12 | C11 | C17 | C26 | 39.7° | 115.5° |
| C12 | C11 | C17 | C18 | 136.1° | 64.1° |
| C12 | C11 | C10 | H10 | 164.6° | 176.3° |
| C12 | C11 | C10 | H11 | 77.2° | 63.2° |
| C11 | C12 | H13 | H14 | 118.7° | 119.9° |
| C11 | C17 | C26 | C18 | 175.8° | 179.6° |
| C11 | C17 | C26 | C21 | 173.8° | 179.8° |
| C11 | C17 | C18 | C19 | 174.9° | 180.0° |
| C17 | C11 | C10 | H10 | 67.4° | 63.9° |
| C17 | C11 | C10 | H11 | 50.8° | 56.5° |
| C17 | C11 | C12 | H13 | 49.7° | 58.4° |
| C17 | C11 | C12 | H14 | 69.4° | 61.6° |
| C11 | C17 | C18 | H15 | 5.1° | 0.1° |
| C17 | C26 | C21 | C22 | 178.2° | 179.7° |
| C17 | C26 | C21 | C20 | 1.4° | 0.5° |
| C26 | C17 | C18 | C19 | 1.3° | 0.3° |
| C26 | C17 | C11 | H12 | 154.4° | 5.2° |
| C26 | C17 | C18 | H15 | 178.7° | 179.7° |
| C17 | C26 | C25 | H21 | 2.0° | 0.0° |
| C21 | C26 | C17 | C18 | 1.9° | 0.6° |
| C26 | C21 | C22 | C20 | 179.6° | 179.8° |
| C26 | C21 | C20 | C19 | 0.0° | 0.2° |
| C26 | C21 | C20 | H17 | 180.0° | 179.8° |
| C26 | C21 | C22 | H18 | 179.9° | 179.7° |
| C21 | C26 | C25 | H21 | 178.8° | 179.7° |
| C17 | C18 | C19 | H15 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C11 | H12 | 21.4° | 175.2° |
| C17 | C18 | C19 | H16 | 179.9° | 179.9° |
| C22 | C21 | C20 | C19 | 179.6° | 180.0° |
| C22 | C21 | C20 | H17 | 0.4° | 0.0° |
| C21 | C22 | C23 | H19 | 179.3° | 180.0° |
| C21 | C20 | C19 | C18 | 0.7° | 0.0° |
| C21 | C20 | C19 | H17 | 180.0° | 180.0° |
| C21 | C20 | C19 | H16 | 179.3° | 180.0° |
| C20 | C21 | C22 | H18 | 0.3° | 0.0° |
| C18 | C19 | C20 | H16 | 180.0° | 180.0° |
| C18 | C19 | C20 | H17 | 179.3° | 180.0° |
| C20 | C19 | C18 | H15 | 179.9° | 180.0° |
| H1 | C2 | C3 | H6 | 0.3° | 0.0° |
| H2 | C5 | C6 | H3 | 0.2° | 0.5° |
| H7 | C | H8 | H9 | 119.9° | 120.0° |
| H10 | C10 | C11 | H12 | 48.8° | 56.4° |
| H11 | C10 | C11 | H12 | 167.0° | 176.9° |
| H12 | C11 | C12 | H13 | 164.4° | 178.9° |
| H12 | C11 | C12 | H14 | 45.3° | 59.0° |
| H15 | C18 | C19 | H16 | 0.1° | 0.0° |
| H16 | C19 | C20 | H17 | 0.7° | 0.0° |
| H18 | C22 | C23 | H19 | 0.6° | 0.1° |
| H19 | C23 | C24 | H20 | 0.5° | 0.3° |
| H20 | C24 | C25 | H21 | 0.5° | 0.8° |
