V7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | S2 | sing | 1.81Å | 1.81Å | |
| C4 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | S2 | sing | 1.81Å | 1.80Å | |
| C6 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | S8 | sing | 1.81Å | 1.82Å | |
| S8 | C9 | sing | 1.81Å | 1.81Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | S2 | 112.0° | 109.5° |
| C3 | C4 | C12 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C4 | C3 | H4 | 108.8° | 109.4° |
| C4 | C3 | H5 | 108.8° | 109.5° |
| C3 | S2 | C1 | 96.6° | 103.0° |
| S2 | C3 | H4 | 108.8° | 109.4° |
| S2 | C3 | H5 | 108.8° | 109.5° |
| C12 | C4 | C5 | 119.8° | 120.0° |
| C4 | C12 | C11 | 120.8° | 120.0° |
| C4 | C12 | H14 | 119.6° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | H6 | 119.9° | 120.0° |
| C12 | C11 | C10 | 118.9° | 120.0° |
| C12 | C11 | H13 | 120.5° | 120.0° |
| C11 | C12 | H14 | 119.6° | 120.0° |
| C5 | C6 | C10 | 119.2° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C6 | C5 | H6 | 119.9° | 120.0° |
| C11 | C10 | C6 | 121.0° | 120.0° |
| C11 | C10 | H12 | 119.5° | 120.0° |
| C10 | C11 | H13 | 120.5° | 120.0° |
| S2 | C1 | H1 | 109.5° | 109.5° |
| S2 | C1 | H2 | 109.5° | 109.5° |
| S2 | C1 | H3 | 109.4° | 109.5° |
| C10 | C6 | C7 | 120.8° | 120.0° |
| C6 | C10 | H12 | 119.5° | 120.0° |
| C6 | C7 | S8 | 115.0° | 109.5° |
| C6 | C7 | H7 | 108.1° | 109.5° |
| C6 | C7 | H8 | 108.1° | 109.5° |
| C7 | S8 | C9 | 100.8° | 103.0° |
| S8 | C7 | H7 | 108.1° | 109.5° |
| S8 | C7 | H8 | 108.1° | 109.5° |
| S8 | C9 | H9 | 109.5° | 109.5° |
| S8 | C9 | H10 | 109.4° | 109.5° |
| S8 | C9 | H11 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H9 | C9 | H11 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | S2 | H4 | 120.4° | 119.9° |
| C4 | C3 | S2 | H5 | 120.4° | 120.1° |
| C3 | C4 | C12 | C5 | 179.9° | 179.7° |
| C3 | C4 | C12 | C11 | 179.8° | 179.8° |
| C3 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | C3 | S2 | C1 | 151.9° | 180.0° |
| C4 | C3 | H4 | H5 | 118.8° | 120.0° |
| C3 | C4 | C5 | H6 | 0.2° | 0.0° |
| C3 | C4 | C12 | H14 | 0.2° | 0.1° |
| S2 | C3 | C4 | C12 | 81.0° | 90.0° |
| S2 | C3 | C4 | C5 | 99.0° | 89.7° |
| C3 | S2 | C1 | H1 | 180.0° | 60.1° |
| C3 | S2 | C1 | H2 | 60.0° | 179.9° |
| C3 | S2 | C1 | H3 | 60.0° | 60.0° |
| S2 | C3 | H4 | H5 | 118.8° | 120.0° |
| C4 | C12 | C11 | H14 | 180.0° | 179.8° |
| C12 | C4 | C5 | C6 | 0.3° | 0.3° |
| C4 | C12 | C11 | C10 | 0.1° | 0.5° |
| C12 | C4 | C3 | H4 | 39.4° | 29.9° |
| C12 | C4 | C3 | H5 | 158.6° | 150.0° |
| C12 | C4 | C5 | H6 | 179.7° | 179.7° |
| C4 | C12 | C11 | H13 | 179.9° | 179.7° |
| C5 | C4 | C12 | C11 | 0.1° | 0.5° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C10 | 0.9° | 0.1° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C5 | C4 | C3 | H4 | 140.6° | 150.3° |
| C5 | C4 | C3 | H5 | 21.3° | 30.3° |
| C5 | C4 | C12 | H14 | 179.9° | 179.7° |
| C12 | C11 | C10 | H13 | 180.0° | 179.7° |
| C12 | C11 | C10 | C6 | 0.7° | 0.3° |
| C12 | C11 | C10 | H12 | 179.3° | 179.7° |
| C5 | C6 | C10 | C11 | 1.1° | 0.1° |
| C5 | C6 | C10 | C7 | 179.1° | 179.9° |
| C5 | C6 | C7 | S8 | 75.9° | 90.0° |
| C5 | C6 | C7 | H7 | 44.9° | 150.0° |
| C5 | C6 | C7 | H8 | 163.2° | 30.0° |
| C5 | C6 | C10 | H12 | 179.0° | 180.0° |
| C11 | C10 | C6 | H12 | 180.0° | 180.0° |
| C11 | C10 | C6 | C7 | 179.9° | 180.0° |
| C10 | C11 | C12 | H14 | 179.9° | 179.7° |
| S2 | C1 | H1 | H2 | 120.0° | 120.0° |
| S2 | C1 | H1 | H3 | 120.0° | 120.1° |
| S2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | S2 | C3 | H4 | 31.5° | 60.0° |
| C1 | S2 | C3 | H5 | 87.7° | 60.0° |
| C10 | C6 | C7 | S8 | 105.0° | 90.0° |
| C10 | C6 | C5 | H6 | 179.2° | 180.0° |
| C10 | C6 | C7 | H7 | 134.2° | 30.1° |
| C10 | C6 | C7 | H8 | 15.8° | 150.0° |
| C6 | C10 | C11 | H13 | 179.3° | 180.0° |
| C6 | C7 | S8 | H7 | 120.8° | 120.0° |
| C6 | C7 | S8 | H8 | 120.8° | 120.0° |
| C6 | C7 | S8 | C9 | 70.5° | 180.0° |
| C7 | C6 | C5 | H6 | 0.1° | 0.0° |
| C6 | C7 | H7 | H8 | 117.5° | 119.9° |
| C7 | C6 | C10 | H12 | 0.1° | 0.0° |
| S8 | C7 | H7 | H8 | 117.5° | 120.0° |
| C7 | S8 | C9 | H9 | 180.0° | 179.9° |
| C7 | S8 | C9 | H10 | 60.0° | 60.0° |
| C7 | S8 | C9 | H11 | 60.0° | 60.0° |
| C9 | S8 | C7 | H7 | 168.7° | 60.0° |
| C9 | S8 | C7 | H8 | 50.3° | 60.0° |
| S8 | C9 | H9 | H10 | 120.0° | 120.1° |
| S8 | C9 | H9 | H11 | 120.0° | 120.0° |
| S8 | C9 | H10 | H11 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H9 | C9 | H10 | H11 | 120.0° | 120.0° |
| H12 | C10 | C11 | H13 | 0.7° | 0.0° |
| H13 | C11 | C12 | H14 | 0.1° | 0.1° |
