WN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C03 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| F18 | C17 | sing | 1.35Å | 1.36Å | |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C09 | sing | 1.48Å | 1.53Å | |
| N11 | C09 | sing | 1.35Å | 1.47Å | |
| N11 | C12 | sing | 1.40Å | 1.45Å | |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | O10 | doub | 1.22Å | 1.19Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 121.7° | 117.0° |
| O02 | C01 | H3 | 109.5° | 109.4° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O02 | C03 | C08 | 123.2° | 120.0° |
| O02 | C03 | C04 | 117.0° | 120.0° |
| C08 | C03 | C04 | 119.8° | 120.1° |
| C03 | C08 | C07 | 120.1° | 119.8° |
| C03 | C08 | H9 | 120.0° | 120.1° |
| C03 | C04 | C05 | 120.4° | 120.2° |
| C03 | C04 | H6 | 119.8° | 119.9° |
| C08 | C07 | C06 | 119.8° | 119.7° |
| C08 | C07 | C09 | 120.4° | 120.1° |
| C07 | C08 | H9 | 120.0° | 120.1° |
| C04 | C05 | C06 | 119.6° | 120.2° |
| C05 | C04 | H6 | 119.8° | 119.8° |
| C04 | C05 | H7 | 120.2° | 119.9° |
| F18 | C17 | C12 | 120.4° | 120.0° |
| F18 | C17 | C16 | 119.1° | 120.1° |
| C06 | C07 | C09 | 119.7° | 120.1° |
| C07 | C06 | C05 | 120.3° | 120.0° |
| C07 | C06 | H8 | 119.8° | 120.0° |
| C07 | C09 | N11 | 121.4° | 120.0° |
| C07 | C09 | O10 | 118.4° | 120.0° |
| C09 | N11 | C12 | 119.1° | 120.0° |
| N11 | C09 | O10 | 120.2° | 120.0° |
| C09 | N11 | H12 | 120.5° | 120.0° |
| N11 | C12 | C17 | 119.5° | 120.1° |
| N11 | C12 | C13 | 120.3° | 120.1° |
| C12 | N11 | H12 | 120.4° | 120.0° |
| C06 | C05 | H7 | 120.2° | 119.9° |
| C05 | C06 | H8 | 119.9° | 120.0° |
| C12 | C17 | C16 | 120.5° | 119.9° |
| C17 | C12 | C13 | 120.1° | 119.8° |
| C17 | C16 | C15 | 119.4° | 120.0° |
| C17 | C16 | H11 | 120.3° | 120.0° |
| C12 | C13 | C14 | 119.4° | 120.0° |
| C12 | C13 | H1 | 120.3° | 120.0° |
| C16 | C15 | C14 | 120.4° | 120.2° |
| C16 | C15 | H2 | 119.8° | 119.9° |
| C15 | C16 | H11 | 120.3° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.1° |
| C14 | C13 | H1 | 120.3° | 120.0° |
| C13 | C14 | H10 | 119.9° | 119.9° |
| C14 | C15 | H2 | 119.8° | 119.8° |
| C15 | C14 | H10 | 119.8° | 120.0° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C08 | 18.7° | 180.0° |
| C01 | O02 | C03 | C04 | 161.0° | 0.2° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| O02 | C03 | C08 | C04 | 179.7° | 179.7° |
| O02 | C03 | C08 | C07 | 179.5° | 179.8° |
| O02 | C03 | C04 | C05 | 179.5° | 179.8° |
| C03 | O02 | C01 | H3 | 180.0° | 60.1° |
| C03 | O02 | C01 | H4 | 60.0° | 180.0° |
| C03 | O02 | C01 | H5 | 60.0° | 59.9° |
| O02 | C03 | C04 | H6 | 0.6° | 0.3° |
| O02 | C03 | C08 | H9 | 0.5° | 0.2° |
| C03 | C08 | C07 | H9 | 180.0° | 180.0° |
| C08 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C08 | C07 | C06 | 0.3° | 0.0° |
| C03 | C08 | C07 | C09 | 178.8° | 180.0° |
| C08 | C03 | C04 | H6 | 179.7° | 180.0° |
| C04 | C03 | C08 | C07 | 0.2° | 0.0° |
| C03 | C04 | C05 | H6 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.4° | 0.1° |
| C03 | C04 | C05 | H7 | 179.6° | 179.9° |
| C04 | C03 | C08 | H9 | 179.8° | 180.0° |
| C08 | C07 | C06 | C09 | 178.4° | 180.0° |
| C08 | C07 | C09 | N11 | 2.7° | 180.0° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C08 | C07 | C09 | O10 | 179.8° | 0.0° |
| C08 | C07 | C06 | H8 | 179.5° | 180.0° |
| C04 | C05 | C06 | C07 | 0.5° | 0.1° |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C04 | C05 | C06 | H8 | 179.5° | 180.0° |
| F18 | C17 | C12 | N11 | 1.1° | 0.1° |
| F18 | C17 | C12 | C16 | 179.8° | 179.4° |
| F18 | C17 | C12 | C13 | 179.6° | 180.0° |
| F18 | C17 | C16 | C15 | 179.6° | 179.7° |
| F18 | C17 | C16 | H11 | 0.4° | 0.6° |
| C06 | C07 | C09 | N11 | 175.7° | 0.0° |
| C07 | C06 | C05 | H8 | 180.0° | 179.9° |
| C06 | C07 | C09 | O10 | 1.8° | 180.0° |
| C07 | C06 | C05 | H7 | 179.5° | 180.0° |
| C06 | C07 | C08 | H9 | 179.7° | 180.0° |
| C07 | C09 | N11 | O10 | 177.5° | 180.0° |
| C07 | C09 | N11 | C12 | 178.4° | 175.5° |
| C09 | C07 | C06 | C05 | 178.9° | 180.0° |
| C09 | C07 | C06 | H8 | 1.0° | 0.0° |
| C09 | C07 | C08 | H9 | 1.2° | 0.0° |
| C07 | C09 | N11 | H12 | 1.6° | 4.5° |
| C09 | N11 | C12 | H12 | 180.0° | 179.9° |
| C09 | N11 | C12 | C17 | 123.8° | 145.3° |
| C09 | N11 | C12 | C13 | 54.6° | 34.6° |
| N11 | C12 | C17 | C13 | 178.4° | 180.0° |
| N11 | C12 | C17 | C16 | 179.0° | 179.5° |
| C12 | N11 | C09 | O10 | 0.9° | 4.4° |
| N11 | C12 | C13 | C14 | 178.9° | 180.0° |
| N11 | C12 | C13 | H1 | 1.1° | 0.2° |
| C06 | C05 | C04 | H6 | 179.6° | 180.0° |
| C12 | C17 | C16 | C15 | 0.5° | 0.8° |
| C17 | C12 | C13 | C14 | 0.5° | 0.0° |
| C17 | C12 | C13 | H1 | 179.5° | 179.7° |
| C12 | C17 | C16 | H11 | 179.5° | 180.0° |
| C17 | C12 | N11 | H12 | 56.1° | 34.7° |
| C16 | C17 | C12 | C13 | 0.6° | 0.6° |
| C17 | C16 | C15 | H11 | 180.0° | 179.1° |
| C17 | C16 | C15 | C14 | 0.4° | 0.5° |
| C17 | C16 | C15 | H2 | 179.6° | 179.5° |
| O10 | C09 | N11 | H12 | 179.1° | 175.5° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.4° | 0.3° |
| C12 | C13 | C14 | H10 | 179.6° | 179.7° |
| C13 | C12 | N11 | H12 | 125.4° | 145.3° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C16 | C15 | C14 | H2 | 180.0° | 180.0° |
| C16 | C15 | C14 | H10 | 179.7° | 180.0° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | H2 | 179.7° | 180.0° |
| C15 | C14 | C13 | H1 | 179.6° | 180.0° |
| C14 | C15 | C16 | H11 | 179.6° | 179.7° |
| H1 | C13 | C14 | H10 | 0.4° | 0.0° |
| H2 | C15 | C14 | H10 | 0.3° | 0.0° |
| H2 | C15 | C16 | H11 | 0.4° | 0.3° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C04 | C05 | H7 | 0.4° | 0.0° |
| H7 | C05 | C06 | H8 | 0.5° | 0.0° |
