WV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| F1 | C1 | sing | 1.35Å | 1.35Å | |
| N1 | C8 | sing | 1.46Å | 1.45Å | |
| N1 | C6 | sing | 1.40Å | 1.36Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | S1 | sing | 1.76Å | 1.77Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | C7 | sing | 1.81Å | 1.75Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N1 | 111.6° | 109.5° |
| C9 | C8 | H9 | 108.9° | 109.5° |
| C9 | C8 | H8 | 108.9° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C8 | C9 | H12 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| F1 | C1 | C6 | 118.2° | 120.1° |
| F1 | C1 | C2 | 119.2° | 120.0° |
| C8 | N1 | C6 | 124.1° | 120.0° |
| N1 | C8 | H9 | 109.0° | 109.5° |
| N1 | C8 | H8 | 108.9° | 109.5° |
| C8 | N1 | H7 | 105.7° | 120.0° |
| N1 | C6 | C1 | 121.9° | 120.1° |
| N1 | C6 | C5 | 120.6° | 120.1° |
| C6 | N1 | H7 | 105.7° | 120.0° |
| C6 | C1 | C2 | 122.6° | 119.9° |
| C1 | C6 | C5 | 117.5° | 119.9° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C1 | C2 | H1 | 120.9° | 119.9° |
| C6 | C5 | C4 | 120.6° | 119.9° |
| C6 | C5 | H3 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.2° |
| C2 | C3 | S1 | 119.3° | 119.9° |
| C3 | C2 | H1 | 120.9° | 120.0° |
| C5 | C4 | C3 | 120.2° | 120.1° |
| C5 | C4 | H2 | 119.9° | 119.9° |
| C4 | C5 | H3 | 119.7° | 120.0° |
| C4 | C3 | S1 | 119.9° | 119.9° |
| C3 | C4 | H2 | 119.9° | 120.0° |
| C3 | S1 | O2 | 108.0° | 104.3° |
| C3 | S1 | C7 | 104.8° | 104.5° |
| C3 | S1 | O1 | 108.4° | 104.3° |
| O2 | S1 | C7 | 108.7° | 110.5° |
| O2 | S1 | O1 | 118.1° | 121.0° |
| C7 | S1 | O1 | 108.1° | 110.6° |
| S1 | C7 | H6 | 109.5° | 109.4° |
| S1 | C7 | H4 | 109.5° | 109.5° |
| S1 | C7 | H5 | 109.4° | 109.4° |
| H6 | C7 | H4 | 109.5° | 109.5° |
| H6 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.4° | 109.5° |
| H9 | C8 | H8 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.4° | 109.4° |
| H11 | C9 | H10 | 109.5° | 109.5° |
| H12 | C9 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N1 | H9 | 120.3° | 120.0° |
| C9 | C8 | N1 | H8 | 120.3° | 120.0° |
| C9 | C8 | N1 | C6 | 173.3° | 180.0° |
| C9 | C8 | H9 | H8 | 119.0° | 120.0° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H10 | 120.0° | 120.0° |
| C8 | C9 | H12 | H10 | 120.0° | 120.0° |
| C9 | C8 | N1 | H7 | 64.7° | 0.0° |
| F1 | C1 | C6 | N1 | 0.7° | 0.0° |
| F1 | C1 | C6 | C2 | 179.8° | 179.7° |
| F1 | C1 | C6 | C5 | 179.8° | 179.9° |
| F1 | C1 | C2 | C3 | 179.9° | 179.9° |
| F1 | C1 | C2 | H1 | 0.1° | 0.3° |
| C8 | N1 | C6 | H7 | 122.0° | 180.0° |
| C8 | N1 | C6 | C1 | 174.6° | 180.0° |
| C8 | N1 | C6 | C5 | 4.5° | 0.1° |
| N1 | C8 | H9 | H8 | 119.0° | 120.0° |
| N1 | C8 | C9 | H11 | 180.0° | 60.0° |
| N1 | C8 | C9 | H12 | 60.0° | 180.0° |
| N1 | C8 | C9 | H10 | 60.0° | 60.0° |
| N1 | C6 | C1 | C5 | 179.1° | 179.9° |
| N1 | C6 | C1 | C2 | 179.6° | 179.7° |
| N1 | C6 | C5 | C4 | 179.5° | 180.0° |
| N1 | C6 | C5 | H3 | 0.5° | 0.1° |
| C6 | N1 | C8 | H9 | 53.0° | 60.0° |
| C6 | N1 | C8 | H8 | 66.4° | 60.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.4° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C1 | C6 | C5 | H3 | 179.6° | 180.0° |
| C1 | C6 | N1 | H7 | 63.3° | 0.0° |
| C6 | C1 | C2 | H1 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.4° |
| C1 | C2 | C3 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | S1 | 179.6° | 180.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.2° |
| C6 | C5 | C4 | H2 | 179.7° | 179.9° |
| C5 | C6 | N1 | H7 | 117.5° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C2 | C3 | C4 | S1 | 179.9° | 179.9° |
| C2 | C3 | S1 | O2 | 14.7° | 26.0° |
| C2 | C3 | S1 | C7 | 101.1° | 90.0° |
| C2 | C3 | S1 | O1 | 143.7° | 153.8° |
| C2 | C3 | C4 | H2 | 179.8° | 179.9° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | S1 | 179.7° | 179.8° |
| C4 | C3 | S1 | O2 | 165.2° | 153.9° |
| C4 | C3 | S1 | C7 | 79.0° | 90.0° |
| C4 | C3 | S1 | O1 | 36.2° | 26.1° |
| C3 | C4 | C5 | H3 | 179.7° | 179.7° |
| C4 | C3 | C2 | H1 | 179.7° | 179.7° |
| C3 | S1 | O2 | C7 | 113.1° | 111.8° |
| C3 | S1 | O2 | O1 | 123.3° | 116.7° |
| C3 | S1 | C7 | O1 | 115.4° | 111.7° |
| S1 | C3 | C4 | H2 | 0.4° | 0.0° |
| C3 | S1 | C7 | H6 | 180.0° | 60.0° |
| C3 | S1 | C7 | H4 | 60.0° | 180.0° |
| C3 | S1 | C7 | H5 | 60.0° | 60.0° |
| S1 | C3 | C2 | H1 | 0.4° | 0.3° |
| O2 | S1 | C7 | O1 | 129.4° | 136.7° |
| O2 | S1 | C7 | H6 | 64.7° | 51.7° |
| O2 | S1 | C7 | H4 | 175.2° | 68.4° |
| O2 | S1 | C7 | H5 | 55.3° | 171.6° |
| S1 | C7 | H6 | H4 | 120.0° | 120.0° |
| S1 | C7 | H6 | H5 | 120.0° | 119.9° |
| S1 | C7 | H4 | H5 | 120.0° | 120.0° |
| O1 | S1 | C7 | H6 | 64.6° | 171.6° |
| O1 | S1 | C7 | H4 | 55.4° | 68.3° |
| O1 | S1 | C7 | H5 | 175.4° | 51.7° |
| H2 | C4 | C5 | H3 | 0.3° | 0.0° |
| H6 | C7 | H4 | H5 | 120.0° | 120.0° |
| H9 | C8 | C9 | H11 | 59.6° | 180.0° |
| H9 | C8 | C9 | H12 | 60.3° | 60.0° |
| H9 | C8 | C9 | H10 | 179.7° | 60.0° |
| H9 | C8 | N1 | H7 | 175.0° | 120.0° |
| H8 | C8 | C9 | H11 | 59.7° | 60.0° |
| H8 | C8 | C9 | H12 | 179.7° | 60.0° |
| H8 | C8 | C9 | H10 | 60.3° | 180.0° |
| H8 | C8 | N1 | H7 | 55.6° | 120.0° |
| H11 | C9 | H12 | H10 | 120.0° | 120.0° |
