W7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | O8 | sing | 1.36Å | 1.44Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.45Å | Aromatic |
| C5 | CL9 | sing | 1.74Å | 1.70Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| O8 | C26 | sing | 1.43Å | 1.51Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.45Å | |
| C16 | N17 | sing | 1.34Å | 1.42Å | Aromatic |
| C16 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| N17 | C20 | doub | 1.32Å | 1.39Å | Aromatic |
| N18 | N19 | sing | 1.40Å | 1.33Å | Aromatic |
| N19 | C20 | sing | 1.36Å | 1.44Å | Aromatic |
| N19 | C24 | sing | 1.34Å | 1.41Å | |
| C20 | N21 | sing | 1.38Å | 1.43Å | |
| N21 | C22 | sing | 1.36Å | 1.39Å | |
| C22 | C23 | doub | 1.35Å | 1.36Å | |
| C22 | C26 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.41Å | 1.46Å | |
| C24 | O25 | doub | 1.22Å | 1.23Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| N21 | H12 | sing | 0.97Å | 1.00Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.9° | 119.9° |
| C2 | C1 | O8 | 118.7° | 120.1° |
| C1 | C2 | C3 | 125.9° | 120.0° |
| C1 | C2 | H1 | 117.0° | 120.0° |
| C6 | C1 | O8 | 122.4° | 120.0° |
| C1 | C6 | C5 | 112.3° | 119.9° |
| C1 | C6 | C7 | 123.3° | 120.1° |
| C1 | O8 | C26 | 121.8° | 117.0° |
| C2 | C3 | C4 | 117.5° | 120.1° |
| C3 | C2 | H1 | 117.1° | 120.0° |
| C2 | C3 | H2 | 121.2° | 120.0° |
| C3 | C4 | C5 | 118.0° | 120.1° |
| C4 | C3 | H2 | 121.3° | 119.9° |
| C3 | C4 | H3 | 121.0° | 120.0° |
| C4 | C5 | C6 | 127.4° | 120.1° |
| C4 | C5 | CL9 | 105.4° | 119.9° |
| C5 | C4 | H3 | 121.0° | 119.9° |
| C6 | C5 | CL9 | 127.2° | 120.0° |
| C5 | C6 | C7 | 124.3° | 120.0° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.4° |
| O8 | C26 | C22 | 107.2° | 109.5° |
| O8 | C26 | H14 | 110.0° | 109.4° |
| O8 | C26 | H15 | 110.0° | 109.5° |
| C11 | C10 | C15 | 120.6° | 120.1° |
| C10 | C11 | C12 | 117.7° | 120.2° |
| C11 | C10 | H7 | 119.7° | 119.9° |
| C10 | C11 | H8 | 121.1° | 119.9° |
| C10 | C15 | C14 | 120.7° | 119.9° |
| C15 | C10 | H7 | 119.7° | 120.0° |
| C10 | C15 | H11 | 119.7° | 120.1° |
| C11 | C12 | C13 | 122.4° | 120.1° |
| C12 | C11 | H8 | 121.1° | 119.8° |
| C11 | C12 | H9 | 118.8° | 119.9° |
| C12 | C13 | C14 | 119.7° | 119.9° |
| C13 | C12 | H9 | 118.8° | 120.0° |
| C12 | C13 | H10 | 120.1° | 120.1° |
| C13 | C14 | C15 | 118.8° | 119.7° |
| C13 | C14 | C16 | 119.6° | 120.1° |
| C14 | C13 | H10 | 120.2° | 120.0° |
| C15 | C14 | C16 | 121.5° | 120.1° |
| C14 | C15 | H11 | 119.6° | 120.0° |
| C14 | C16 | N17 | 122.5° | 125.4° |
| C14 | C16 | N18 | 123.0° | 125.4° |
| N17 | C16 | N18 | 114.4° | 109.2° |
| C16 | N17 | C20 | 102.7° | 109.7° |
| C16 | N18 | N19 | 104.5° | 106.8° |
| N17 | C20 | N19 | 106.8° | 107.7° |
| N17 | C20 | N21 | 131.8° | 132.3° |
| N18 | N19 | C20 | 111.4° | 106.6° |
| N18 | N19 | C24 | 127.7° | 133.0° |
| C20 | N19 | C24 | 120.5° | 120.4° |
| N19 | C20 | N21 | 121.4° | 120.0° |
| N19 | C24 | C23 | 113.2° | 119.7° |
| N19 | C24 | O25 | 118.5° | 120.2° |
| C20 | N21 | C22 | 116.3° | 120.3° |
| C20 | N21 | H12 | 121.9° | 119.9° |
| N21 | C22 | C23 | 120.4° | 120.0° |
| N21 | C22 | C26 | 118.4° | 120.0° |
| C22 | N21 | H12 | 121.9° | 119.8° |
| C23 | C22 | C26 | 121.0° | 120.0° |
| C22 | C23 | C24 | 125.7° | 119.6° |
| C22 | C23 | H13 | 117.1° | 120.2° |
| C22 | C26 | H14 | 110.0° | 109.5° |
| C22 | C26 | H15 | 110.0° | 109.5° |
| C23 | C24 | O25 | 127.6° | 120.1° |
| C24 | C23 | H13 | 117.1° | 120.2° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O8 | 178.9° | 179.7° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C1 | C6 | C5 | 1.4° | 0.1° |
| C2 | C1 | C6 | C7 | 178.8° | 180.0° |
| C2 | C1 | O8 | C26 | 35.3° | 0.1° |
| C1 | C2 | C3 | H2 | 179.5° | 180.0° |
| C6 | C1 | C2 | C3 | 1.5° | 0.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C1 | C6 | C5 | C7 | 177.4° | 179.9° |
| C1 | C6 | C5 | CL9 | 178.9° | 179.9° |
| C6 | C1 | O8 | C26 | 143.6° | 179.7° |
| C6 | C1 | C2 | H1 | 178.5° | 180.0° |
| C1 | C6 | C7 | H4 | 88.6° | 89.9° |
| C1 | C6 | C7 | H5 | 151.4° | 150.1° |
| C1 | C6 | C7 | H6 | 31.4° | 30.0° |
| O8 | C1 | C2 | C3 | 177.5° | 179.7° |
| O8 | C1 | C6 | C5 | 177.5° | 179.8° |
| O8 | C1 | C6 | C7 | 0.1° | 0.3° |
| C1 | O8 | C26 | C22 | 143.7° | 180.0° |
| O8 | C1 | C2 | H1 | 2.5° | 0.3° |
| C1 | O8 | C26 | H14 | 96.6° | 60.0° |
| C1 | O8 | C26 | H15 | 24.1° | 60.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | CL9 | 179.9° | 180.0° |
| C4 | C3 | C2 | H1 | 179.5° | 180.0° |
| C4 | C5 | C6 | CL9 | 179.6° | 179.9° |
| C4 | C5 | C6 | C7 | 178.1° | 179.9° |
| C5 | C4 | C3 | H2 | 179.7° | 180.0° |
| C6 | C5 | C4 | H3 | 179.9° | 179.9° |
| C5 | C6 | C7 | H4 | 88.5° | 90.0° |
| C5 | C6 | C7 | H5 | 31.5° | 30.0° |
| C5 | C6 | C7 | H6 | 151.5° | 150.1° |
| CL9 | C5 | C6 | C7 | 1.5° | 0.0° |
| CL9 | C5 | C4 | H3 | 0.1° | 0.0° |
| C6 | C7 | H4 | H5 | 120.0° | 120.0° |
| C6 | C7 | H4 | H6 | 120.0° | 120.0° |
| C6 | C7 | H5 | H6 | 120.0° | 120.0° |
| O8 | C26 | C22 | N21 | 106.1° | 180.0° |
| O8 | C26 | C22 | C23 | 68.6° | 0.0° |
| O8 | C26 | C22 | H14 | 119.7° | 120.0° |
| O8 | C26 | C22 | H15 | 119.6° | 120.0° |
| O8 | C26 | H14 | H15 | 121.0° | 120.0° |
| C11 | C10 | C15 | H7 | 180.0° | 179.7° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.4° | 0.0° |
| C11 | C10 | C15 | C14 | 0.9° | 0.0° |
| C10 | C11 | C12 | H9 | 178.6° | 180.0° |
| C11 | C10 | C15 | H11 | 179.1° | 180.0° |
| C15 | C10 | C11 | C12 | 2.2° | 0.0° |
| C10 | C15 | C14 | C13 | 1.3° | 0.0° |
| C10 | C15 | C14 | H11 | 180.0° | 179.9° |
| C10 | C15 | C14 | C16 | 178.0° | 179.9° |
| C15 | C10 | C11 | H8 | 177.8° | 180.0° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C12 | C11 | C10 | H7 | 177.8° | 179.7° |
| C11 | C12 | C13 | H10 | 179.2° | 180.0° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.1° | 0.0° |
| C12 | C13 | C14 | C16 | 178.9° | 180.0° |
| C13 | C12 | C11 | H8 | 178.6° | 180.0° |
| C13 | C14 | C15 | C16 | 176.7° | 180.0° |
| C13 | C14 | C16 | N17 | 164.1° | 180.0° |
| C13 | C14 | C16 | N18 | 14.2° | 0.3° |
| C14 | C13 | C12 | H9 | 179.2° | 180.0° |
| C13 | C14 | C15 | H11 | 178.7° | 180.0° |
| C15 | C14 | C16 | N17 | 12.6° | 0.0° |
| C15 | C14 | C16 | N18 | 169.1° | 179.7° |
| C14 | C15 | C10 | H7 | 179.1° | 179.7° |
| C15 | C14 | C13 | H10 | 177.9° | 180.0° |
| C14 | C16 | N17 | N18 | 178.4° | 179.8° |
| C14 | C16 | N17 | C20 | 178.1° | 180.0° |
| C14 | C16 | N18 | N19 | 179.5° | 180.0° |
| C16 | C14 | C13 | H10 | 1.1° | 0.0° |
| C16 | C14 | C15 | H11 | 1.9° | 0.0° |
| N17 | C16 | N18 | N19 | 2.1° | 0.2° |
| C16 | N17 | C20 | N19 | 2.4° | 0.1° |
| C16 | N17 | C20 | N21 | 179.8° | 180.0° |
| N18 | C16 | N17 | C20 | 0.3° | 0.2° |
| C16 | N18 | N19 | C20 | 3.6° | 0.1° |
| C16 | N18 | N19 | C24 | 169.2° | 179.9° |
| N17 | C20 | N19 | N18 | 4.0° | 0.0° |
| N17 | C20 | N19 | N21 | 177.7° | 180.0° |
| N17 | C20 | N19 | C24 | 169.5° | 179.9° |
| N17 | C20 | N21 | C22 | 159.2° | 180.0° |
| N17 | C20 | N21 | H12 | 20.7° | 0.1° |
| N18 | N19 | C20 | C24 | 173.4° | 179.8° |
| N18 | N19 | C20 | N21 | 178.3° | 179.9° |
| N18 | N19 | C24 | C23 | 167.2° | 179.9° |
| N18 | N19 | C24 | O25 | 3.9° | 0.0° |
| N19 | C20 | N21 | C22 | 17.8° | 0.1° |
| C20 | N19 | C24 | C23 | 5.0° | 0.4° |
| C20 | N19 | C24 | O25 | 176.2° | 179.8° |
| N19 | C20 | N21 | H12 | 162.2° | 179.9° |
| C24 | N19 | C20 | N21 | 8.3° | 0.1° |
| N19 | C24 | C23 | C22 | 9.5° | 0.5° |
| N19 | C24 | C23 | O25 | 170.2° | 179.8° |
| N19 | C24 | C23 | H13 | 170.5° | 179.7° |
| C20 | N21 | C22 | H12 | 180.0° | 180.0° |
| C20 | N21 | C22 | C23 | 13.6° | 0.0° |
| C20 | N21 | C22 | C26 | 161.1° | 180.0° |
| N21 | C22 | C23 | C26 | 174.6° | 180.0° |
| N21 | C22 | C23 | C24 | 0.1° | 0.3° |
| N21 | C22 | C23 | H13 | 179.9° | 179.9° |
| N21 | C22 | C26 | H14 | 13.6° | 60.0° |
| N21 | C22 | C26 | H15 | 134.3° | 60.0° |
| C22 | C23 | C24 | H13 | 180.0° | 179.8° |
| C22 | C23 | C24 | O25 | 179.7° | 179.7° |
| C23 | C22 | N21 | H12 | 166.4° | 180.0° |
| C23 | C22 | C26 | H14 | 171.7° | 120.0° |
| C23 | C22 | C26 | H15 | 51.0° | 120.0° |
| C26 | C22 | C23 | C24 | 174.5° | 179.7° |
| C26 | C22 | N21 | H12 | 18.9° | 0.0° |
| C26 | C22 | C23 | H13 | 5.5° | 0.1° |
| C22 | C26 | H14 | H15 | 121.0° | 120.0° |
| O25 | C24 | C23 | H13 | 0.3° | 0.1° |
| H1 | C2 | C3 | H2 | 0.5° | 0.0° |
| H2 | C3 | C4 | H3 | 0.3° | 0.0° |
| H4 | C7 | H5 | H6 | 120.0° | 120.0° |
| H7 | C10 | C11 | H8 | 2.2° | 0.3° |
| H7 | C10 | C15 | H11 | 0.9° | 0.3° |
| H8 | C11 | C12 | H9 | 1.4° | 0.1° |
| H9 | C12 | C13 | H10 | 0.8° | 0.1° |
