V7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C3 | sing | 1.84Å | 1.80Å | |
| S1 | C4 | sing | 1.84Å | 1.86Å | |
| O2 | C1 | doub | 1.21Å | 1.22Å | |
| O1 | C1 | sing | 1.34Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C4 | N1 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.46Å | 1.47Å | |
| C5 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | S2 | sing | 1.76Å | 1.72Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| S2 | C8 | sing | 1.76Å | 1.70Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| N1 | H9 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | S1 | C4 | 89.8° | 94.0° |
| S1 | C3 | C2 | 105.7° | 101.4° |
| S1 | C3 | H2 | 110.4° | 111.1° |
| S1 | C3 | H3 | 110.4° | 111.1° |
| S1 | C4 | N1 | 104.8° | 102.6° |
| S1 | C4 | C5 | 112.7° | 110.8° |
| S1 | C4 | H4 | 106.3° | 110.9° |
| O2 | C1 | O1 | 126.0° | 120.0° |
| O2 | C1 | C2 | 116.7° | 120.0° |
| O1 | C1 | C2 | 117.3° | 120.0° |
| C1 | O1 | H8 | 109.5° | 117.0° |
| C1 | C2 | C3 | 113.8° | 108.8° |
| C1 | C2 | N1 | 111.0° | 108.8° |
| C1 | C2 | H1 | 108.2° | 108.7° |
| C3 | C2 | N1 | 106.2° | 113.1° |
| C3 | C2 | H1 | 108.4° | 108.6° |
| C2 | C3 | H2 | 110.4° | 111.0° |
| C2 | C3 | H3 | 110.4° | 111.0° |
| N1 | C4 | C5 | 111.7° | 110.8° |
| C4 | N1 | C2 | 116.4° | 115.0° |
| N1 | C4 | H4 | 110.8° | 110.8° |
| C4 | N1 | H9 | 107.8° | 111.0° |
| C4 | C5 | C6 | 125.8° | 125.2° |
| C4 | C5 | S2 | 123.0° | 125.2° |
| C5 | C4 | H4 | 110.3° | 110.7° |
| N1 | C2 | H1 | 109.2° | 108.8° |
| C2 | N1 | H9 | 107.7° | 111.0° |
| C6 | C5 | S2 | 111.2° | 109.6° |
| C5 | C6 | C7 | 111.5° | 114.9° |
| C5 | C6 | H5 | 124.2° | 122.6° |
| C5 | S2 | C8 | 91.8° | 91.0° |
| C6 | C7 | C8 | 113.0° | 114.9° |
| C7 | C6 | H5 | 124.2° | 122.5° |
| C6 | C7 | H6 | 123.5° | 122.5° |
| C7 | C8 | S2 | 111.3° | 109.6° |
| C8 | C7 | H6 | 123.5° | 122.6° |
| C7 | C8 | H7 | 124.4° | 125.2° |
| S2 | C8 | H7 | 124.3° | 125.2° |
| H2 | C3 | H3 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C3 | C2 | C1 | 84.6° | 144.2° |
| S1 | C3 | C2 | H2 | 119.4° | 118.1° |
| S1 | C3 | C2 | H3 | 119.4° | 118.1° |
| C3 | S1 | C4 | N1 | 28.8° | 33.5° |
| C3 | S1 | C4 | C5 | 92.8° | 151.8° |
| S1 | C3 | C2 | N1 | 37.8° | 23.2° |
| S1 | C3 | C2 | H1 | 155.0° | 97.6° |
| S1 | C3 | H2 | H3 | 121.7° | 124.0° |
| C3 | S1 | C4 | H4 | 146.2° | 84.8° |
| C4 | S1 | C3 | C2 | 38.8° | 32.4° |
| S1 | C4 | N1 | C5 | 122.4° | 118.3° |
| S1 | C4 | N1 | H4 | 114.3° | 118.4° |
| S1 | C4 | C5 | H4 | 118.7° | 123.5° |
| S1 | C4 | N1 | C2 | 11.3° | 24.8° |
| S1 | C4 | C5 | C6 | 94.9° | 96.8° |
| S1 | C4 | C5 | S2 | 86.4° | 82.9° |
| C4 | S1 | C3 | H2 | 80.6° | 85.7° |
| C4 | S1 | C3 | H3 | 158.3° | 150.4° |
| S1 | C4 | N1 | H9 | 109.7° | 151.9° |
| O2 | C1 | O1 | C2 | 178.0° | 179.8° |
| O2 | C1 | C2 | C3 | 57.1° | 104.8° |
| O2 | C1 | C2 | N1 | 176.7° | 18.8° |
| O2 | C1 | C2 | H1 | 63.5° | 137.1° |
| O2 | C1 | O1 | H8 | 0.0° | 0.2° |
| O1 | C1 | C2 | C3 | 124.7° | 75.0° |
| O1 | C1 | C2 | N1 | 5.1° | 161.4° |
| O1 | C1 | C2 | H1 | 114.7° | 43.1° |
| C1 | C2 | C3 | N1 | 122.4° | 121.0° |
| C1 | C2 | C3 | H1 | 120.5° | 118.2° |
| C1 | C2 | N1 | C4 | 107.5° | 119.9° |
| C1 | C2 | N1 | H1 | 119.2° | 118.3° |
| C1 | C2 | C3 | H2 | 156.0° | 26.1° |
| C1 | C2 | C3 | H3 | 34.8° | 97.8° |
| C2 | C1 | O1 | H8 | 178.0° | 180.0° |
| C1 | C2 | N1 | H9 | 13.6° | 7.1° |
| C3 | C2 | N1 | C4 | 16.7° | 1.0° |
| C3 | C2 | N1 | H1 | 116.6° | 120.8° |
| C2 | C3 | H2 | H3 | 121.7° | 123.9° |
| C3 | C2 | N1 | H9 | 137.7° | 128.1° |
| N1 | C4 | C5 | H4 | 123.6° | 123.3° |
| C4 | N1 | C2 | H9 | 121.0° | 127.0° |
| N1 | C4 | C5 | C6 | 147.4° | 150.0° |
| N1 | C4 | C5 | S2 | 31.3° | 30.3° |
| C4 | N1 | C2 | H1 | 133.3° | 121.8° |
| C5 | C4 | N1 | C2 | 111.1° | 143.1° |
| C4 | C5 | C6 | S2 | 178.8° | 179.7° |
| C4 | C5 | C6 | C7 | 174.1° | 180.0° |
| C4 | C5 | S2 | C8 | 170.2° | 180.0° |
| C4 | C5 | C6 | H5 | 5.9° | 0.1° |
| C5 | C4 | N1 | H9 | 127.9° | 89.8° |
| N1 | C2 | C3 | H2 | 81.6° | 94.9° |
| N1 | C2 | C3 | H3 | 157.2° | 141.3° |
| C2 | N1 | C4 | H4 | 125.6° | 93.6° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 3.2° | 0.1° |
| C6 | C5 | S2 | C8 | 8.7° | 0.3° |
| C6 | C5 | C4 | H4 | 23.7° | 26.7° |
| C5 | C6 | C7 | H6 | 176.9° | 180.0° |
| S2 | C5 | C6 | C7 | 4.7° | 0.3° |
| C5 | S2 | C8 | C7 | 10.5° | 0.3° |
| S2 | C5 | C4 | H4 | 155.0° | 153.6° |
| S2 | C5 | C6 | H5 | 175.3° | 179.8° |
| C5 | S2 | C8 | H7 | 169.5° | 179.9° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | S2 | 9.7° | 0.2° |
| C6 | C7 | C8 | H7 | 170.3° | 180.0° |
| C7 | C8 | S2 | H7 | 180.0° | 179.8° |
| C8 | C7 | C6 | H5 | 176.8° | 180.0° |
| S2 | C8 | C7 | H6 | 170.3° | 179.7° |
| H1 | C2 | C3 | H2 | 35.6° | 144.3° |
| H1 | C2 | C3 | H3 | 85.6° | 20.4° |
| H1 | C2 | N1 | H9 | 105.6° | 111.2° |
| H4 | C4 | N1 | H9 | 4.6° | 33.4° |
| H5 | C6 | C7 | H6 | 3.2° | 0.1° |
| H6 | C7 | C8 | H7 | 9.6° | 0.0° |
