2WN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | S22 | doub | 1.42Å | 1.43Å | |
| O25 | S22 | doub | 1.42Å | 1.43Å | |
| S22 | F26 | sing | 1.61Å | 1.55Å | |
| S22 | O21 | sing | 1.52Å | 1.56Å | |
| O21 | C18 | sing | 1.36Å | 1.38Å | |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C12 | sing | 1.48Å | 1.51Å | |
| C12 | N13 | doub | 1.31Å | 1.35Å | Aromatic |
| C12 | O11 | sing | 1.35Å | 1.39Å | Aromatic |
| N13 | N14 | sing | 1.29Å | 1.41Å | Aromatic |
| O11 | C10 | sing | 1.35Å | 1.37Å | Aromatic |
| N14 | C10 | doub | 1.31Å | 1.36Å | Aromatic |
| C10 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | CL9 | sing | 1.74Å | 1.78Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | CL8 | sing | 1.74Å | 1.80Å | |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | S22 | O25 | 106.6° | 123.1° |
| O23 | S22 | F26 | 109.0° | 106.4° |
| O23 | S22 | O21 | 111.5° | 106.5° |
| O25 | S22 | F26 | 107.7° | 106.4° |
| O25 | S22 | O21 | 109.5° | 106.4° |
| F26 | S22 | O21 | 112.4° | 107.2° |
| S22 | O21 | C18 | 119.1° | 113.9° |
| O21 | C18 | C17 | 117.5° | 119.9° |
| O21 | C18 | C19 | 123.4° | 119.9° |
| C17 | C18 | C19 | 119.1° | 120.2° |
| C18 | C17 | C16 | 120.3° | 120.1° |
| C18 | C17 | H5 | 119.8° | 119.9° |
| C18 | C19 | C20 | 120.7° | 120.1° |
| C18 | C19 | H6 | 119.6° | 119.9° |
| C17 | C16 | C15 | 121.1° | 119.9° |
| C17 | C16 | H4 | 119.5° | 120.1° |
| C16 | C17 | H5 | 119.8° | 120.0° |
| C19 | C20 | C15 | 119.9° | 119.9° |
| C20 | C19 | H6 | 119.7° | 120.0° |
| C19 | C20 | H7 | 120.1° | 120.0° |
| C16 | C15 | C20 | 118.9° | 119.8° |
| C16 | C15 | C12 | 118.5° | 120.1° |
| C15 | C16 | H4 | 119.4° | 120.0° |
| C20 | C15 | C12 | 122.6° | 120.1° |
| C15 | C20 | H7 | 120.1° | 120.1° |
| C15 | C12 | N13 | 123.8° | 126.3° |
| C15 | C12 | O11 | 129.3° | 126.3° |
| N13 | C12 | O11 | 106.8° | 107.4° |
| C12 | N13 | N14 | 108.0° | 109.4° |
| C12 | O11 | C10 | 110.1° | 106.4° |
| N13 | N14 | C10 | 108.7° | 109.4° |
| O11 | C10 | N14 | 106.4° | 107.4° |
| O11 | C10 | C5 | 128.2° | 126.3° |
| N14 | C10 | C5 | 125.3° | 126.2° |
| C10 | C5 | C4 | 120.3° | 120.1° |
| C10 | C5 | C6 | 121.5° | 120.1° |
| C4 | C5 | C6 | 118.2° | 119.8° |
| C5 | C4 | C3 | 120.0° | 119.9° |
| C5 | C4 | H2 | 120.0° | 120.0° |
| C5 | C6 | C7 | 121.0° | 119.9° |
| C5 | C6 | H3 | 119.5° | 120.0° |
| C4 | C3 | CL9 | 120.0° | 119.9° |
| C4 | C3 | C2 | 121.5° | 120.1° |
| C3 | C4 | H2 | 120.0° | 120.1° |
| C6 | C7 | C2 | 120.1° | 120.1° |
| C6 | C7 | CL8 | 122.8° | 119.9° |
| C7 | C6 | H3 | 119.5° | 120.1° |
| CL9 | C3 | C2 | 118.5° | 120.0° |
| C3 | C2 | C7 | 119.2° | 120.2° |
| C3 | C2 | O1 | 120.8° | 119.9° |
| C2 | C7 | CL8 | 117.0° | 119.9° |
| C7 | C2 | O1 | 120.1° | 120.0° |
| C2 | O1 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | S22 | O25 | F26 | 116.8° | 122.9° |
| O23 | S22 | O25 | O21 | 120.7° | 123.0° |
| O23 | S22 | F26 | O21 | 124.1° | 113.6° |
| O23 | S22 | O21 | C18 | 170.7° | 32.1° |
| O25 | S22 | F26 | O21 | 120.7° | 113.5° |
| O25 | S22 | O21 | C18 | 71.7° | 165.0° |
| F26 | S22 | O21 | C18 | 48.0° | 81.5° |
| S22 | O21 | C18 | C17 | 31.2° | 90.0° |
| S22 | O21 | C18 | C19 | 147.8° | 90.0° |
| O21 | C18 | C17 | C19 | 179.1° | 180.0° |
| O21 | C18 | C17 | C16 | 179.2° | 180.0° |
| O21 | C18 | C19 | C20 | 179.0° | 179.7° |
| O21 | C18 | C17 | H5 | 0.9° | 0.0° |
| O21 | C18 | C19 | H6 | 0.9° | 0.0° |
| C18 | C17 | C16 | H5 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.3° |
| C18 | C17 | C16 | C15 | 0.0° | 0.1° |
| C18 | C17 | C16 | H4 | 180.0° | 179.9° |
| C17 | C18 | C19 | H6 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | H6 | 180.0° | 179.8° |
| C18 | C19 | C20 | C15 | 0.1° | 0.6° |
| C19 | C18 | C17 | H5 | 179.9° | 180.0° |
| C18 | C19 | C20 | H7 | 179.9° | 179.9° |
| C17 | C16 | C15 | H4 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 0.2° | 0.3° |
| C17 | C16 | C15 | C12 | 179.2° | 180.0° |
| C19 | C20 | C15 | C16 | 0.3° | 0.6° |
| C19 | C20 | C15 | H7 | 180.0° | 179.4° |
| C19 | C20 | C15 | C12 | 179.2° | 179.8° |
| C16 | C15 | C20 | C12 | 179.0° | 179.6° |
| C16 | C15 | C12 | N13 | 1.2° | 0.0° |
| C16 | C15 | C12 | O11 | 175.7° | 179.6° |
| C15 | C16 | C17 | H5 | 180.0° | 180.0° |
| C16 | C15 | C20 | H7 | 179.8° | 180.0° |
| C20 | C15 | C12 | N13 | 179.8° | 179.7° |
| C20 | C15 | C12 | O11 | 3.3° | 0.0° |
| C20 | C15 | C16 | H4 | 179.8° | 179.8° |
| C15 | C20 | C19 | H6 | 179.9° | 179.7° |
| C15 | C12 | N13 | O11 | 177.5° | 179.7° |
| C15 | C12 | N13 | N14 | 178.5° | 180.0° |
| C15 | C12 | O11 | C10 | 179.3° | 179.7° |
| C12 | C15 | C16 | H4 | 0.8° | 0.1° |
| C12 | C15 | C20 | H7 | 0.8° | 0.4° |
| N13 | C12 | O11 | C10 | 2.0° | 0.0° |
| C12 | N13 | N14 | C10 | 0.3° | 0.4° |
| O11 | C12 | N13 | N14 | 1.0° | 0.3° |
| C12 | O11 | C10 | N14 | 2.2° | 0.2° |
| C12 | O11 | C10 | C5 | 179.7° | 180.0° |
| N13 | N14 | C10 | O11 | 1.5° | 0.4° |
| N13 | N14 | C10 | C5 | 179.1° | 179.8° |
| O11 | C10 | N14 | C5 | 177.6° | 179.8° |
| O11 | C10 | C5 | C4 | 11.7° | 180.0° |
| O11 | C10 | C5 | C6 | 168.1° | 0.1° |
| N14 | C10 | C5 | C4 | 165.4° | 0.3° |
| N14 | C10 | C5 | C6 | 14.8° | 179.7° |
| C10 | C5 | C4 | C6 | 179.8° | 180.0° |
| C10 | C5 | C4 | C3 | 179.5° | 179.9° |
| C10 | C5 | C6 | C7 | 179.7° | 179.8° |
| C10 | C5 | C4 | H2 | 0.5° | 0.0° |
| C10 | C5 | C6 | H3 | 0.3° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.2° |
| C5 | C4 | C3 | CL9 | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.8° |
| C5 | C6 | C7 | C2 | 0.0° | 0.5° |
| C5 | C6 | C7 | CL8 | 179.4° | 180.0° |
| C6 | C5 | C4 | H2 | 179.3° | 180.0° |
| C4 | C3 | CL9 | C2 | 179.8° | 180.0° |
| C4 | C3 | C2 | C7 | 0.0° | 0.2° |
| C4 | C3 | C2 | O1 | 179.8° | 180.0° |
| C6 | C7 | C2 | C3 | 0.3° | 0.5° |
| C6 | C7 | C2 | CL8 | 179.4° | 179.6° |
| C6 | C7 | C2 | O1 | 179.9° | 179.8° |
| CL9 | C3 | C2 | C7 | 179.9° | 179.8° |
| CL9 | C3 | C2 | O1 | 0.3° | 0.0° |
| CL9 | C3 | C4 | H2 | 0.6° | 0.0° |
| C3 | C2 | C7 | O1 | 179.8° | 179.7° |
| C3 | C2 | C7 | CL8 | 179.7° | 180.0° |
| C3 | C2 | O1 | H1 | 180.0° | 90.0° |
| C2 | C3 | C4 | H2 | 179.5° | 180.0° |
| C7 | C2 | O1 | H1 | 0.2° | 90.2° |
| C2 | C7 | C6 | H3 | 179.9° | 179.8° |
| CL8 | C7 | C2 | O1 | 0.5° | 0.2° |
| CL8 | C7 | C6 | H3 | 0.6° | 0.2° |
| H4 | C16 | C17 | H5 | 0.0° | 0.1° |
| H6 | C19 | C20 | H7 | 0.1° | 0.3° |
