WJ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.45Å | |
| C7 | N8 | sing | 1.34Å | 1.38Å | Aromatic |
| C7 | N9 | doub | 1.32Å | 1.37Å | Aromatic |
| N8 | C11 | doub | 1.32Å | 1.35Å | Aromatic |
| N9 | N10 | sing | 1.40Å | 1.33Å | Aromatic |
| N10 | C11 | sing | 1.36Å | 1.41Å | Aromatic |
| N10 | C15 | sing | 1.35Å | 1.38Å | |
| C11 | N12 | sing | 1.38Å | 1.36Å | |
| N12 | C13 | sing | 1.36Å | 1.38Å | |
| C13 | C14 | doub | 1.35Å | 1.38Å | |
| C13 | C17 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.41Å | 1.45Å | |
| C15 | O16 | doub | 1.22Å | 1.20Å | |
| C17 | CL18 | sing | 1.80Å | 1.71Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.4° | 120.1° |
| C1 | C2 | C3 | 122.5° | 120.3° |
| C2 | C1 | H1 | 120.3° | 119.9° |
| C1 | C2 | H2 | 118.8° | 119.9° |
| C1 | C6 | C5 | 118.4° | 119.9° |
| C6 | C1 | H1 | 120.3° | 120.0° |
| C1 | C6 | H5 | 120.8° | 120.1° |
| C2 | C3 | C4 | 118.5° | 120.1° |
| C3 | C2 | H2 | 118.7° | 119.9° |
| C2 | C3 | H3 | 120.8° | 119.9° |
| C3 | C4 | C5 | 119.2° | 119.9° |
| C4 | C3 | H3 | 120.7° | 119.9° |
| C3 | C4 | H4 | 120.4° | 120.1° |
| C4 | C5 | C6 | 121.9° | 119.8° |
| C4 | C5 | C7 | 118.9° | 120.1° |
| C5 | C4 | H4 | 120.4° | 120.0° |
| C6 | C5 | C7 | 119.2° | 120.1° |
| C5 | C6 | H5 | 120.8° | 120.1° |
| C5 | C7 | N8 | 121.4° | 125.4° |
| C5 | C7 | N9 | 123.6° | 125.4° |
| N8 | C7 | N9 | 115.0° | 109.2° |
| C7 | N8 | C11 | 101.5° | 109.7° |
| C7 | N9 | N10 | 103.7° | 106.8° |
| N8 | C11 | N10 | 110.9° | 107.7° |
| N8 | C11 | N12 | 129.2° | 132.3° |
| N9 | N10 | C11 | 108.9° | 106.6° |
| N9 | N10 | C15 | 128.5° | 132.9° |
| C11 | N10 | C15 | 122.6° | 120.5° |
| N10 | C11 | N12 | 119.7° | 120.0° |
| N10 | C15 | C14 | 116.1° | 119.6° |
| N10 | C15 | O16 | 116.1° | 120.2° |
| C11 | N12 | C13 | 119.1° | 120.3° |
| C11 | N12 | H6 | 120.5° | 119.8° |
| N12 | C13 | C14 | 122.6° | 120.0° |
| N12 | C13 | C17 | 108.8° | 120.0° |
| C13 | N12 | H6 | 120.4° | 119.9° |
| C14 | C13 | C17 | 128.6° | 120.0° |
| C13 | C14 | C15 | 119.6° | 119.6° |
| C13 | C14 | H7 | 120.2° | 120.2° |
| C13 | C17 | CL18 | 115.6° | 109.5° |
| C13 | C17 | H8 | 107.9° | 109.5° |
| C13 | C17 | H9 | 107.9° | 109.5° |
| C14 | C15 | O16 | 127.8° | 120.2° |
| C15 | C14 | H7 | 120.2° | 120.2° |
| CL18 | C17 | H8 | 107.9° | 109.5° |
| CL18 | C17 | H9 | 107.9° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.4° | 0.0° |
| C2 | C1 | C6 | C5 | 1.0° | 0.0° |
| C1 | C2 | C3 | H3 | 178.6° | 180.0° |
| C2 | C1 | C6 | H5 | 179.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C5 | C4 | 1.1° | 0.0° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 179.6° | 180.0° |
| C6 | C1 | C2 | H2 | 179.7° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.2° | 0.1° |
| C3 | C2 | C1 | H1 | 179.7° | 179.7° |
| C2 | C3 | C4 | H4 | 178.8° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | C7 | 179.3° | 180.0° |
| C4 | C3 | C2 | H2 | 178.6° | 179.9° |
| C4 | C5 | C6 | C7 | 179.3° | 179.9° |
| C4 | C5 | C7 | N8 | 161.6° | 179.9° |
| C4 | C5 | C7 | N9 | 18.0° | 0.3° |
| C5 | C4 | C3 | H3 | 178.8° | 180.0° |
| C4 | C5 | C6 | H5 | 178.9° | 180.0° |
| C6 | C5 | C7 | N8 | 17.7° | 0.0° |
| C6 | C5 | C7 | N9 | 162.7° | 179.6° |
| C5 | C6 | C1 | H1 | 179.0° | 179.7° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C7 | N8 | N9 | 179.7° | 179.7° |
| C5 | C7 | N8 | C11 | 179.2° | 180.0° |
| C5 | C7 | N9 | N10 | 179.8° | 180.0° |
| C7 | C5 | C4 | H4 | 0.7° | 0.1° |
| C7 | C5 | C6 | H5 | 0.4° | 0.1° |
| N8 | C7 | N9 | N10 | 0.1° | 0.3° |
| C7 | N8 | C11 | N10 | 0.8° | 0.2° |
| C7 | N8 | C11 | N12 | 176.8° | 180.0° |
| N9 | C7 | N8 | C11 | 0.4° | 0.3° |
| C7 | N9 | N10 | C11 | 0.7° | 0.2° |
| C7 | N9 | N10 | C15 | 178.6° | 180.0° |
| N8 | C11 | N10 | N9 | 1.0° | 0.0° |
| N8 | C11 | N10 | N12 | 176.4° | 179.9° |
| N8 | C11 | N10 | C15 | 178.3° | 179.9° |
| N8 | C11 | N12 | C13 | 179.3° | 180.0° |
| N8 | C11 | N12 | H6 | 0.7° | 0.1° |
| N9 | N10 | C11 | C15 | 179.3° | 179.9° |
| N9 | N10 | C11 | N12 | 177.4° | 179.9° |
| N9 | N10 | C15 | C14 | 179.2° | 179.9° |
| N9 | N10 | C15 | O16 | 0.2° | 0.0° |
| N10 | C11 | N12 | C13 | 5.0° | 0.2° |
| C11 | N10 | C15 | C14 | 1.6° | 0.3° |
| C11 | N10 | C15 | O16 | 179.4° | 179.8° |
| N10 | C11 | N12 | H6 | 175.0° | 179.9° |
| C15 | N10 | C11 | N12 | 1.9° | 0.0° |
| N10 | C15 | C14 | C13 | 2.1° | 0.5° |
| N10 | C15 | C14 | O16 | 178.9° | 179.9° |
| N10 | C15 | C14 | H7 | 177.9° | 179.8° |
| C11 | N12 | C13 | H6 | 180.0° | 179.9° |
| C11 | N12 | C13 | C14 | 4.6° | 0.0° |
| C11 | N12 | C13 | C17 | 175.7° | 179.9° |
| N12 | C13 | C14 | C17 | 179.6° | 180.0° |
| N12 | C13 | C14 | C15 | 1.0° | 0.3° |
| N12 | C13 | C17 | CL18 | 164.8° | 180.0° |
| N12 | C13 | C14 | H7 | 179.0° | 180.0° |
| N12 | C13 | C17 | H8 | 74.3° | 60.0° |
| N12 | C13 | C17 | H9 | 43.9° | 60.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.7° |
| C13 | C14 | C15 | O16 | 179.0° | 179.6° |
| C14 | C13 | C17 | CL18 | 14.8° | 0.0° |
| C14 | C13 | N12 | H6 | 175.4° | 179.9° |
| C14 | C13 | C17 | H8 | 106.1° | 120.0° |
| C14 | C13 | C17 | H9 | 135.7° | 120.0° |
| C17 | C13 | C14 | C15 | 179.4° | 179.7° |
| C13 | C17 | CL18 | H8 | 120.9° | 120.0° |
| C13 | C17 | CL18 | H9 | 120.9° | 120.0° |
| C17 | C13 | N12 | H6 | 4.3° | 0.1° |
| C17 | C13 | C14 | H7 | 0.6° | 0.0° |
| C13 | C17 | H8 | H9 | 117.2° | 120.0° |
| O16 | C15 | C14 | H7 | 1.0° | 0.1° |
| CL18 | C17 | H8 | H9 | 117.2° | 120.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.3° |
| H1 | C1 | C6 | H5 | 0.9° | 0.2° |
| H2 | C2 | C3 | H3 | 1.4° | 0.1° |
| H3 | C3 | C4 | H4 | 1.2° | 0.1° |
