VWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | C7 | sing | 1.39Å | 1.42Å | |
| N2 | S1 | sing | 1.66Å | 1.63Å | |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| S1 | C8 | sing | 1.81Å | 1.75Å | |
| O1 | C3 | doub | 1.22Å | 1.23Å | |
| C4 | C3 | sing | 1.48Å | 1.50Å | |
| C4 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C6 | C5 | C4 | 120.7° | 119.9° |
| C6 | C5 | H2 | 119.7° | 120.1° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| C6 | C7 | N2 | 120.5° | 119.9° |
| C6 | C7 | C9 | 119.9° | 120.2° |
| C7 | C6 | H3 | 120.1° | 120.0° |
| C7 | N2 | S1 | 125.9° | 120.1° |
| N2 | C7 | C9 | 119.5° | 119.9° |
| C7 | N2 | H13 | 105.2° | 120.0° |
| N2 | S1 | O3 | 106.7° | 104.2° |
| N2 | S1 | O2 | 107.1° | 104.3° |
| N2 | S1 | C8 | 107.1° | 104.4° |
| S1 | N2 | H13 | 105.3° | 120.0° |
| O3 | S1 | O2 | 118.7° | 121.0° |
| O3 | S1 | C8 | 108.4° | 110.6° |
| O2 | S1 | C8 | 108.3° | 110.6° |
| C5 | C4 | C3 | 121.2° | 120.1° |
| C5 | C4 | C10 | 118.8° | 119.8° |
| C4 | C5 | H2 | 119.7° | 120.0° |
| C7 | C9 | C10 | 119.9° | 120.0° |
| C7 | C9 | H14 | 120.0° | 120.0° |
| S1 | C8 | H4 | 109.5° | 109.5° |
| S1 | C8 | H5 | 109.5° | 109.4° |
| S1 | C8 | H6 | 109.5° | 109.5° |
| O1 | C3 | C4 | 121.0° | 120.0° |
| O1 | C3 | N1 | 122.1° | 120.0° |
| C3 | C4 | C10 | 120.0° | 120.1° |
| C4 | C3 | N1 | 116.9° | 120.0° |
| C4 | C10 | C9 | 120.8° | 120.0° |
| C4 | C10 | H7 | 119.7° | 120.0° |
| C9 | C10 | H7 | 119.6° | 120.0° |
| C10 | C9 | H14 | 120.0° | 119.9° |
| C3 | N1 | C2 | 122.2° | 120.0° |
| C3 | N1 | H1 | 118.9° | 120.0° |
| N1 | C2 | C1 | 112.6° | 109.5° |
| C2 | N1 | H1 | 118.9° | 120.1° |
| N1 | C2 | H11 | 108.7° | 109.5° |
| N1 | C2 | H12 | 108.7° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C1 | C2 | H11 | 108.7° | 109.4° |
| C1 | C2 | H12 | 108.7° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.4° | 109.4° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H11 | C2 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | N2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C9 | 0.5° | 0.1° |
| C6 | C5 | C4 | C3 | 179.9° | 180.0° |
| C6 | C5 | C4 | C10 | 0.0° | 0.3° |
| C6 | C7 | N2 | C9 | 179.6° | 179.9° |
| C6 | C7 | N2 | S1 | 75.3° | 133.7° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | C9 | C10 | 0.5° | 0.2° |
| C7 | C6 | C5 | H2 | 179.8° | 180.0° |
| C6 | C7 | N2 | H13 | 46.9° | 46.2° |
| C6 | C7 | C9 | H14 | 179.5° | 180.0° |
| C7 | N2 | S1 | H13 | 122.2° | 180.0° |
| C7 | N2 | S1 | O3 | 174.3° | 54.9° |
| C7 | N2 | S1 | O2 | 57.6° | 177.2° |
| C7 | N2 | S1 | C8 | 58.4° | 61.1° |
| N2 | C7 | C9 | C10 | 180.0° | 179.8° |
| N2 | C7 | C6 | H3 | 0.0° | 0.0° |
| N2 | C7 | C9 | H14 | 0.0° | 0.1° |
| N2 | S1 | O3 | O2 | 120.9° | 116.7° |
| N2 | S1 | O3 | C8 | 115.0° | 111.7° |
| N2 | S1 | O2 | C8 | 115.2° | 111.7° |
| S1 | N2 | C7 | C9 | 105.1° | 46.2° |
| N2 | S1 | C8 | H4 | 180.0° | 65.0° |
| N2 | S1 | C8 | H5 | 60.0° | 175.0° |
| N2 | S1 | C8 | H6 | 60.0° | 55.1° |
| O3 | S1 | O2 | C8 | 124.0° | 131.6° |
| O3 | S1 | C8 | H4 | 65.2° | 46.5° |
| O3 | S1 | C8 | H5 | 54.8° | 73.4° |
| O3 | S1 | C8 | H6 | 174.8° | 166.6° |
| O3 | S1 | N2 | H13 | 63.5° | 125.1° |
| O2 | S1 | C8 | H4 | 64.8° | 176.7° |
| O2 | S1 | C8 | H5 | 175.2° | 63.4° |
| O2 | S1 | C8 | H6 | 55.3° | 56.6° |
| O2 | S1 | N2 | H13 | 64.6° | 2.7° |
| C5 | C4 | C3 | O1 | 13.3° | 179.7° |
| C5 | C4 | C3 | C10 | 179.9° | 179.7° |
| C5 | C4 | C10 | C9 | 0.0° | 0.5° |
| C5 | C4 | C3 | N1 | 166.8° | 0.2° |
| C4 | C5 | C6 | H3 | 179.8° | 180.0° |
| C5 | C4 | C10 | H7 | 179.9° | 179.7° |
| C7 | C9 | C10 | C4 | 0.3° | 0.4° |
| C7 | C9 | C10 | H14 | 180.0° | 179.8° |
| C9 | C7 | C6 | H3 | 179.5° | 179.9° |
| C7 | C9 | C10 | H7 | 179.7° | 179.8° |
| C9 | C7 | N2 | H13 | 132.6° | 133.8° |
| S1 | C8 | H4 | H5 | 120.0° | 120.0° |
| S1 | C8 | H4 | H6 | 120.0° | 120.1° |
| S1 | C8 | H5 | H6 | 120.0° | 120.0° |
| C8 | S1 | N2 | H13 | 179.4° | 118.8° |
| O1 | C3 | C4 | N1 | 179.9° | 180.0° |
| O1 | C3 | C4 | C10 | 166.6° | 0.0° |
| O1 | C3 | N1 | C2 | 55.5° | 0.0° |
| O1 | C3 | N1 | H1 | 124.5° | 179.7° |
| C3 | C4 | C10 | C9 | 179.9° | 179.8° |
| C4 | C3 | N1 | C2 | 124.6° | 180.0° |
| C4 | C3 | N1 | H1 | 55.4° | 0.3° |
| C3 | C4 | C5 | H2 | 0.1° | 0.0° |
| C3 | C4 | C10 | H7 | 0.2° | 0.0° |
| C4 | C10 | C9 | H7 | 180.0° | 179.8° |
| C10 | C4 | C3 | N1 | 13.3° | 180.0° |
| C10 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C10 | C9 | H14 | 179.7° | 179.7° |
| C3 | N1 | C2 | H1 | 180.0° | 179.7° |
| C3 | N1 | C2 | C1 | 105.0° | 179.7° |
| C3 | N1 | C2 | H11 | 15.5° | 59.8° |
| C3 | N1 | C2 | H12 | 134.6° | 60.3° |
| N1 | C2 | C1 | H11 | 120.5° | 120.0° |
| N1 | C2 | C1 | H12 | 120.4° | 120.0° |
| N1 | C2 | C1 | H8 | 180.0° | 180.0° |
| N1 | C2 | C1 | H9 | 60.0° | 60.0° |
| N1 | C2 | C1 | H10 | 60.0° | 60.0° |
| N1 | C2 | H11 | H12 | 118.6° | 120.1° |
| C1 | C2 | N1 | H1 | 75.0° | 0.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.1° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | H11 | H12 | 118.6° | 120.0° |
| H1 | N1 | C2 | H11 | 164.5° | 119.9° |
| H1 | N1 | C2 | H12 | 45.4° | 120.0° |
| H2 | C5 | C6 | H3 | 0.2° | 0.0° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H7 | C10 | C9 | H14 | 0.3° | 0.1° |
| H8 | C1 | H9 | H10 | 120.0° | 119.9° |
| H8 | C1 | C2 | H11 | 59.6° | 60.0° |
| H8 | C1 | C2 | H12 | 59.6° | 60.0° |
| H9 | C1 | C2 | H11 | 179.6° | 180.0° |
| H9 | C1 | C2 | H12 | 60.5° | 60.0° |
| H10 | C1 | C2 | H11 | 60.4° | 60.0° |
| H10 | C1 | C2 | H12 | 179.6° | 180.0° |
