5V6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C7 | sing | 1.76Å | 1.72Å | Aromatic |
| S | C6 | sing | 1.76Å | 1.73Å | Aromatic |
| C7 | C8 | doub | 1.33Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.35Å | 1.40Å | Aromatic |
| C8 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.50Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.49Å | Aromatic |
| O2 | C9 | sing | 1.36Å | 1.38Å | |
| O2 | C10 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| O1 | C | doub | 1.21Å | 1.25Å | |
| C | O | sing | 1.34Å | 1.24Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | S | C6 | 98.1° | 91.2° |
| S | C7 | C8 | 104.9° | 109.9° |
| S | C7 | H11 | 127.6° | 125.1° |
| S | C6 | C5 | 106.3° | 109.6° |
| S | C6 | H10 | 126.8° | 125.2° |
| C7 | C8 | C5 | 117.3° | 114.9° |
| C8 | C7 | H11 | 127.5° | 125.0° |
| C7 | C8 | H12 | 121.3° | 122.6° |
| C6 | C5 | C8 | 113.4° | 114.4° |
| C6 | C5 | C4 | 122.2° | 122.8° |
| C5 | C6 | H10 | 126.9° | 125.2° |
| C8 | C5 | C4 | 124.4° | 122.8° |
| C5 | C8 | H12 | 121.4° | 122.5° |
| C5 | C4 | C3 | 120.5° | 120.2° |
| C5 | C4 | C9 | 121.5° | 120.2° |
| C3 | C4 | C9 | 118.0° | 119.6° |
| C4 | C3 | C2 | 121.0° | 120.0° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C4 | C9 | O2 | 119.5° | 120.1° |
| C4 | C9 | C11 | 119.2° | 119.8° |
| C9 | O2 | C10 | 121.4° | 117.0° |
| O2 | C9 | C11 | 121.3° | 120.2° |
| O2 | C10 | H7 | 109.5° | 109.5° |
| O2 | C10 | H8 | 109.5° | 109.5° |
| O2 | C10 | H9 | 109.5° | 109.5° |
| C3 | C2 | C1 | 119.9° | 119.9° |
| C3 | C2 | C12 | 120.7° | 120.2° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C9 | C11 | C12 | 120.1° | 120.1° |
| C9 | C11 | H4 | 119.9° | 120.0° |
| C1 | C2 | C12 | 119.3° | 119.9° |
| C2 | C1 | C | 112.4° | 109.5° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C2 | C1 | H2 | 108.8° | 109.4° |
| C2 | C12 | C11 | 120.9° | 120.3° |
| C2 | C12 | H5 | 119.5° | 119.8° |
| C12 | C11 | H4 | 119.9° | 120.0° |
| C11 | C12 | H5 | 119.5° | 119.9° |
| C1 | C | O1 | 119.1° | 120.0° |
| C1 | C | O | 118.5° | 120.0° |
| C | C1 | H1 | 108.7° | 109.5° |
| C | C1 | H2 | 108.7° | 109.5° |
| O1 | C | O | 122.4° | 120.0° |
| C | O | H6 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H9 | 109.4° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C7 | C8 | H11 | 180.0° | 179.8° |
| C7 | S | C6 | C5 | 2.0° | 0.0° |
| S | C7 | C8 | C5 | 1.4° | 0.5° |
| C7 | S | C6 | H10 | 178.1° | 180.0° |
| S | C7 | C8 | H12 | 178.6° | 180.0° |
| C6 | S | C7 | C8 | 1.9° | 0.3° |
| S | C6 | C5 | H10 | 180.0° | 180.0° |
| S | C6 | C5 | C8 | 1.4° | 0.3° |
| S | C6 | C5 | C4 | 179.1° | 180.0° |
| C6 | S | C7 | H11 | 178.1° | 179.9° |
| C7 | C8 | C5 | C6 | 0.0° | 0.5° |
| C7 | C8 | C5 | H12 | 180.0° | 179.5° |
| C7 | C8 | C5 | C4 | 177.6° | 179.8° |
| C6 | C5 | C8 | C4 | 177.6° | 179.7° |
| C6 | C5 | C4 | C3 | 34.5° | 130.0° |
| C6 | C5 | C4 | C9 | 142.7° | 50.0° |
| C6 | C5 | C8 | H12 | 180.0° | 180.0° |
| C8 | C5 | C4 | C3 | 148.1° | 50.3° |
| C8 | C5 | C4 | C9 | 34.7° | 129.7° |
| C8 | C5 | C6 | H10 | 178.6° | 179.7° |
| C5 | C8 | C7 | H11 | 178.6° | 179.7° |
| C5 | C4 | C3 | C9 | 177.3° | 180.0° |
| C5 | C4 | C9 | O2 | 1.1° | 0.0° |
| C5 | C4 | C3 | C2 | 178.5° | 180.0° |
| C5 | C4 | C9 | C11 | 177.9° | 179.7° |
| C5 | C4 | C3 | H3 | 1.5° | 0.0° |
| C4 | C5 | C6 | H10 | 1.0° | 0.0° |
| C4 | C5 | C8 | H12 | 2.4° | 0.3° |
| C3 | C4 | C9 | O2 | 178.4° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C3 | C4 | C9 | C11 | 0.6° | 0.3° |
| C4 | C3 | C2 | C1 | 178.2° | 180.0° |
| C4 | C3 | C2 | C12 | 1.8° | 0.3° |
| C4 | C9 | O2 | C11 | 179.0° | 179.7° |
| C4 | C9 | O2 | C10 | 173.7° | 180.0° |
| C9 | C4 | C3 | C2 | 1.2° | 0.0° |
| C4 | C9 | C11 | C12 | 0.7° | 0.3° |
| C9 | C4 | C3 | H3 | 178.8° | 180.0° |
| C4 | C9 | C11 | H4 | 179.3° | 179.8° |
| O2 | C9 | C11 | C12 | 178.3° | 180.0° |
| O2 | C9 | C11 | H4 | 1.7° | 0.0° |
| C9 | O2 | C10 | H7 | 180.0° | 60.0° |
| C9 | O2 | C10 | H8 | 60.0° | 180.0° |
| C9 | O2 | C10 | H9 | 60.0° | 60.0° |
| C10 | O2 | C9 | C11 | 5.3° | 0.2° |
| O2 | C10 | H7 | H8 | 120.0° | 120.0° |
| O2 | C10 | H7 | H9 | 120.0° | 120.0° |
| O2 | C10 | H8 | H9 | 120.0° | 120.0° |
| C3 | C2 | C1 | C12 | 176.5° | 179.7° |
| C3 | C2 | C12 | C11 | 1.8° | 0.2° |
| C3 | C2 | C1 | C | 74.9° | 89.7° |
| C3 | C2 | C1 | H1 | 45.5° | 30.4° |
| C3 | C2 | C1 | H2 | 164.7° | 150.3° |
| C3 | C2 | C12 | H5 | 178.2° | 179.7° |
| C9 | C11 | C12 | C2 | 1.3° | 0.0° |
| C9 | C11 | C12 | H4 | 180.0° | 179.9° |
| C9 | C11 | C12 | H5 | 178.7° | 180.0° |
| C1 | C2 | C12 | C11 | 178.3° | 179.9° |
| C2 | C1 | C | H1 | 120.4° | 120.0° |
| C2 | C1 | C | H2 | 120.4° | 120.0° |
| C2 | C1 | C | O1 | 151.7° | 0.0° |
| C2 | C1 | C | O | 29.1° | 180.0° |
| C2 | C1 | H1 | H2 | 118.7° | 119.9° |
| C1 | C2 | C3 | H3 | 1.8° | 0.1° |
| C1 | C2 | C12 | H5 | 1.7° | 0.0° |
| C2 | C12 | C11 | H5 | 180.0° | 179.9° |
| C12 | C2 | C1 | C | 108.6° | 90.0° |
| C12 | C2 | C1 | H1 | 131.0° | 150.0° |
| C12 | C2 | C1 | H2 | 11.8° | 30.0° |
| C12 | C2 | C3 | H3 | 178.2° | 179.8° |
| C2 | C12 | C11 | H4 | 178.7° | 180.0° |
| C1 | C | O1 | O | 179.2° | 180.0° |
| C | C1 | H1 | H2 | 118.7° | 120.0° |
| C1 | C | O | H6 | 179.2° | 180.0° |
| O1 | C | C1 | H1 | 31.3° | 120.0° |
| O1 | C | C1 | H2 | 87.9° | 120.0° |
| O1 | C | O | H6 | 0.0° | 0.0° |
| O | C | C1 | H1 | 149.5° | 60.0° |
| O | C | C1 | H2 | 91.3° | 60.0° |
| H4 | C11 | C12 | H5 | 1.3° | 0.1° |
| H7 | C10 | H8 | H9 | 120.0° | 120.0° |
| H11 | C7 | C8 | H12 | 1.4° | 0.2° |
