5V5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.34Å | 1.39Å | Aromatic |
| C11 | S | sing | 1.76Å | 1.73Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.39Å | Aromatic |
| S | C8 | sing | 1.76Å | 1.73Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C5 | sing | 1.40Å | 1.49Å | Aromatic |
| O1 | C5 | sing | 1.36Å | 1.38Å | |
| O1 | C6 | sing | 1.43Å | 1.43Å | |
| C12 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C | doub | 1.21Å | 1.25Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C | O2 | sing | 1.34Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | S | 106.0° | 109.8° |
| C11 | C10 | C9 | 117.2° | 115.0° |
| C10 | C11 | H5 | 127.0° | 125.1° |
| C11 | C10 | H12 | 121.4° | 122.5° |
| C11 | S | C8 | 95.6° | 91.0° |
| S | C11 | H5 | 127.0° | 125.1° |
| C10 | C9 | C8 | 112.2° | 114.8° |
| C10 | C9 | H11 | 123.9° | 122.6° |
| C9 | C10 | H12 | 121.4° | 122.5° |
| C9 | C8 | S | 109.0° | 109.4° |
| C9 | C8 | C7 | 132.4° | 125.3° |
| C8 | C9 | H11 | 123.9° | 122.6° |
| S | C8 | C7 | 118.6° | 125.2° |
| C8 | C7 | C12 | 117.6° | 120.2° |
| C8 | C7 | C5 | 123.3° | 120.1° |
| C12 | C7 | C5 | 119.1° | 119.7° |
| C7 | C12 | C2 | 120.4° | 119.9° |
| C7 | C12 | H6 | 119.8° | 120.1° |
| C7 | C5 | O1 | 120.0° | 120.2° |
| C7 | C5 | C4 | 118.5° | 119.7° |
| C5 | O1 | C6 | 121.8° | 117.0° |
| O1 | C5 | C4 | 121.3° | 120.1° |
| O1 | C6 | H8 | 109.5° | 109.4° |
| O1 | C6 | H9 | 109.5° | 109.5° |
| O1 | C6 | H10 | 109.5° | 109.4° |
| C12 | C2 | C1 | 118.8° | 119.9° |
| C12 | C2 | C3 | 120.8° | 120.3° |
| C2 | C12 | H6 | 119.8° | 120.0° |
| C5 | C4 | C3 | 119.5° | 120.1° |
| C5 | C4 | H7 | 120.2° | 120.0° |
| C1 | C2 | C3 | 120.5° | 119.8° |
| C2 | C1 | C | 111.9° | 109.5° |
| C2 | C1 | H1 | 108.8° | 109.4° |
| C2 | C1 | H2 | 108.9° | 109.4° |
| C2 | C3 | C4 | 121.6° | 120.3° |
| C2 | C3 | H3 | 119.2° | 119.8° |
| C4 | C3 | H3 | 119.2° | 119.8° |
| C3 | C4 | H7 | 120.2° | 119.9° |
| O | C | C1 | 118.7° | 120.0° |
| O | C | O2 | 122.8° | 120.0° |
| C1 | C | O2 | 118.6° | 120.0° |
| C | C1 | H1 | 108.9° | 109.5° |
| C | C1 | H2 | 108.8° | 109.5° |
| C | O2 | H4 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.6° |
| H8 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | S | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | H12 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 1.7° | 0.0° |
| C10 | C11 | S | C8 | 1.0° | 0.0° |
| C11 | C10 | C9 | H11 | 178.3° | 180.0° |
| S | C11 | C10 | C9 | 1.7° | 0.0° |
| C11 | S | C8 | C9 | 0.1° | 0.0° |
| C11 | S | C8 | C7 | 178.4° | 179.9° |
| S | C11 | C10 | H12 | 178.3° | 180.0° |
| C10 | C9 | C8 | H11 | 180.0° | 179.9° |
| C10 | C9 | C8 | S | 0.8° | 0.1° |
| C10 | C9 | C8 | C7 | 179.1° | 179.9° |
| C9 | C10 | C11 | H5 | 178.3° | 179.8° |
| C9 | C8 | S | C7 | 178.5° | 179.9° |
| C9 | C8 | C7 | C12 | 30.5° | 49.9° |
| C9 | C8 | C7 | C5 | 147.2° | 130.0° |
| C8 | C9 | C10 | H12 | 178.3° | 180.0° |
| S | C8 | C7 | C12 | 151.4° | 129.9° |
| S | C8 | C7 | C5 | 30.9° | 50.1° |
| C8 | S | C11 | H5 | 179.0° | 179.7° |
| S | C8 | C9 | H11 | 179.2° | 180.0° |
| C8 | C7 | C12 | C5 | 177.8° | 179.9° |
| C8 | C7 | C5 | O1 | 0.3° | 0.1° |
| C8 | C7 | C12 | C2 | 176.9° | 179.9° |
| C8 | C7 | C5 | C4 | 176.7° | 179.6° |
| C8 | C7 | C12 | H6 | 3.1° | 0.0° |
| C7 | C8 | C9 | H11 | 0.9° | 0.1° |
| C12 | C7 | C5 | O1 | 178.0° | 180.0° |
| C7 | C12 | C2 | H6 | 180.0° | 179.9° |
| C12 | C7 | C5 | C4 | 1.0° | 0.3° |
| C7 | C12 | C2 | C1 | 178.8° | 180.0° |
| C7 | C12 | C2 | C3 | 1.4° | 0.3° |
| C7 | C5 | O1 | C4 | 176.9° | 179.7° |
| C7 | C5 | O1 | C6 | 176.2° | 179.7° |
| C5 | C7 | C12 | C2 | 1.0° | 0.0° |
| C7 | C5 | C4 | C3 | 1.5° | 0.3° |
| C5 | C7 | C12 | H6 | 179.0° | 179.9° |
| C7 | C5 | C4 | H7 | 178.5° | 179.7° |
| O1 | C5 | C4 | C3 | 178.4° | 180.0° |
| O1 | C5 | C4 | H7 | 1.6° | 0.0° |
| C5 | O1 | C6 | H8 | 180.0° | 60.0° |
| C5 | O1 | C6 | H9 | 60.0° | 179.9° |
| C5 | O1 | C6 | H10 | 60.0° | 60.0° |
| C6 | O1 | C5 | C4 | 0.7° | 0.0° |
| O1 | C6 | H8 | H9 | 120.0° | 120.0° |
| O1 | C6 | H8 | H10 | 120.0° | 119.9° |
| O1 | C6 | H9 | H10 | 120.0° | 119.9° |
| C12 | C2 | C1 | C3 | 179.7° | 179.7° |
| C12 | C2 | C3 | C4 | 2.0° | 0.3° |
| C12 | C2 | C1 | C | 70.6° | 90.3° |
| C12 | C2 | C1 | H1 | 49.7° | 29.8° |
| C12 | C2 | C1 | H2 | 169.0° | 149.7° |
| C12 | C2 | C3 | H3 | 178.1° | 179.7° |
| C5 | C4 | C3 | C2 | 2.0° | 0.0° |
| C5 | C4 | C3 | H7 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 178.0° | 180.0° |
| C1 | C2 | C3 | C4 | 178.3° | 180.0° |
| C2 | C1 | C | O | 148.8° | 0.0° |
| C2 | C1 | C | H1 | 120.3° | 120.0° |
| C2 | C1 | C | H2 | 120.4° | 120.0° |
| C2 | C1 | C | O2 | 32.2° | 179.9° |
| C2 | C1 | H1 | H2 | 118.9° | 119.9° |
| C1 | C2 | C3 | H3 | 1.7° | 0.0° |
| C1 | C2 | C12 | H6 | 1.2° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 109.1° | 90.0° |
| C3 | C2 | C1 | H1 | 130.6° | 149.9° |
| C3 | C2 | C1 | H2 | 11.3° | 30.0° |
| C3 | C2 | C12 | H6 | 178.6° | 179.7° |
| C2 | C3 | C4 | H7 | 178.0° | 180.0° |
| O | C | C1 | O2 | 179.0° | 179.9° |
| O | C | C1 | H1 | 28.5° | 119.9° |
| O | C | C1 | H2 | 90.8° | 120.0° |
| O | C | O2 | H4 | 0.0° | 0.1° |
| C | C1 | H1 | H2 | 118.9° | 120.1° |
| C1 | C | O2 | H4 | 179.0° | 180.0° |
| O2 | C | C1 | H1 | 152.5° | 60.0° |
| O2 | C | C1 | H2 | 88.2° | 60.1° |
| H3 | C3 | C4 | H7 | 2.0° | 0.0° |
| H5 | C11 | C10 | H12 | 1.7° | 0.3° |
| H8 | C6 | H9 | H10 | 120.0° | 120.1° |
| H11 | C9 | C10 | H12 | 1.7° | 0.1° |
