VV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.33Å | 1.32Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
| C11 | S | sing | 1.76Å | 1.63Å | Aromatic |
| C9 | C8 | doub | 1.33Å | 1.27Å | Aromatic |
| C8 | S | sing | 1.76Å | 1.66Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.44Å | |
| C7 | C6 | sing | 1.53Å | 1.48Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.32Å | |
| O | C5 | doub | 1.22Å | 1.17Å | |
| C5 | C2 | sing | 1.48Å | 1.47Å | |
| C2 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.34Å | Aromatic |
| C3 | N | sing | 1.32Å | 1.31Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.30Å | Aromatic |
| N | C4 | doub | 1.32Å | 1.30Å | Aromatic |
| C | C4 | sing | 1.38Å | 1.45Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.08Å | 1.08Å | |
| C11 | 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) |
| C11 | C10 | C9 | 109.5° | 114.9° |
| C10 | C11 | S | 114.4° | 109.6° |
| C10 | C11 | H11 | 122.8° | 125.2° |
| C11 | C10 | H12 | 125.2° | 122.5° |
| C10 | C9 | C8 | 113.7° | 115.0° |
| C10 | C9 | H4 | 123.1° | 122.5° |
| C9 | C10 | H12 | 125.3° | 122.6° |
| C11 | S | C8 | 89.5° | 91.0° |
| S | C11 | H11 | 122.8° | 125.2° |
| C9 | C8 | S | 112.8° | 109.6° |
| C9 | C8 | C7 | 125.9° | 125.2° |
| C8 | C9 | H4 | 123.2° | 122.5° |
| S | C8 | C7 | 121.2° | 125.2° |
| C8 | C7 | C6 | 113.0° | 109.4° |
| C8 | C7 | H2 | 108.6° | 109.5° |
| C8 | C7 | H3 | 108.6° | 109.5° |
| C7 | C6 | N1 | 114.7° | 109.4° |
| C6 | C7 | H2 | 108.6° | 109.4° |
| C6 | C7 | H3 | 108.6° | 109.5° |
| C7 | C6 | H6 | 108.1° | 109.5° |
| C7 | C6 | H7 | 108.1° | 109.5° |
| C6 | N1 | C5 | 121.6° | 120.0° |
| C6 | N1 | H1 | 119.2° | 120.0° |
| N1 | C6 | H6 | 108.2° | 109.5° |
| N1 | C6 | H7 | 108.1° | 109.5° |
| N1 | C5 | O | 123.0° | 119.9° |
| N1 | C5 | C2 | 116.6° | 120.0° |
| C5 | N1 | H1 | 119.2° | 120.0° |
| O | C5 | C2 | 120.3° | 120.0° |
| C5 | C2 | C3 | 120.0° | 120.6° |
| C5 | C2 | C1 | 118.6° | 120.6° |
| C3 | C2 | C1 | 121.1° | 118.8° |
| C2 | C3 | N | 124.3° | 120.6° |
| C2 | C3 | H9 | 117.8° | 119.7° |
| C2 | C1 | C | 115.6° | 118.3° |
| C2 | C1 | H5 | 122.2° | 120.8° |
| C3 | N | C4 | 113.9° | 121.9° |
| N | C3 | H9 | 117.9° | 119.8° |
| C1 | C | C4 | 121.5° | 119.3° |
| C | C1 | H5 | 122.2° | 120.9° |
| C1 | C | H10 | 119.2° | 120.3° |
| N | C4 | C | 123.6° | 121.1° |
| N | C4 | H8 | 118.2° | 119.5° |
| C | C4 | H8 | 118.2° | 119.5° |
| C4 | C | H10 | 119.2° | 120.3° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H12 | 180.0° | 179.5° |
| C10 | C11 | S | H11 | 180.0° | 179.6° |
| C11 | C10 | C9 | C8 | 0.2° | 0.3° |
| C10 | C11 | S | C8 | 0.3° | 0.4° |
| C11 | C10 | C9 | H4 | 179.8° | 179.6° |
| C9 | C10 | C11 | S | 0.1° | 0.5° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | S | 0.4° | 0.0° |
| C10 | C9 | C8 | C7 | 178.6° | 179.7° |
| C9 | C10 | C11 | H11 | 179.9° | 179.9° |
| C11 | S | C8 | C9 | 0.4° | 0.3° |
| C11 | S | C8 | C7 | 178.7° | 180.0° |
| S | C11 | C10 | H12 | 179.8° | 180.0° |
| C9 | C8 | S | C7 | 178.3° | 179.7° |
| C9 | C8 | C7 | C6 | 114.9° | 90.3° |
| C9 | C8 | C7 | H2 | 124.6° | 149.7° |
| C9 | C8 | C7 | H3 | 5.6° | 29.7° |
| C8 | C9 | C10 | H12 | 179.8° | 179.8° |
| S | C8 | C7 | C6 | 67.0° | 90.1° |
| S | C8 | C7 | H2 | 53.5° | 29.9° |
| S | C8 | C7 | H3 | 172.4° | 150.0° |
| S | C8 | C9 | H4 | 179.6° | 180.0° |
| C8 | S | C11 | H11 | 179.7° | 179.9° |
| C8 | C7 | C6 | H2 | 120.5° | 120.0° |
| C8 | C7 | C6 | H3 | 120.5° | 120.0° |
| C8 | C7 | C6 | N1 | 64.0° | 180.0° |
| C8 | C7 | H2 | H3 | 118.4° | 120.1° |
| C7 | C8 | C9 | H4 | 1.3° | 0.3° |
| C8 | C7 | C6 | H6 | 175.2° | 60.0° |
| C8 | C7 | C6 | H7 | 56.8° | 60.0° |
| C7 | C6 | N1 | H6 | 120.8° | 120.0° |
| C7 | C6 | N1 | H7 | 120.8° | 119.9° |
| C7 | C6 | N1 | C5 | 112.7° | 180.0° |
| C7 | C6 | N1 | H1 | 67.3° | 0.2° |
| C6 | C7 | H2 | H3 | 118.4° | 120.0° |
| C7 | C6 | H6 | H7 | 117.6° | 120.0° |
| C6 | N1 | C5 | H1 | 180.0° | 179.9° |
| C6 | N1 | C5 | O | 1.9° | 0.2° |
| C6 | N1 | C5 | C2 | 180.0° | 179.7° |
| N1 | C6 | C7 | H2 | 56.6° | 60.0° |
| N1 | C6 | C7 | H3 | 175.5° | 60.0° |
| N1 | C6 | H6 | H7 | 117.6° | 120.0° |
| N1 | C5 | O | C2 | 178.1° | 179.9° |
| N1 | C5 | C2 | C3 | 1.0° | 0.1° |
| N1 | C5 | C2 | C1 | 173.3° | 179.9° |
| C5 | N1 | C6 | H6 | 126.5° | 59.9° |
| C5 | N1 | C6 | H7 | 8.1° | 60.1° |
| O | C5 | C2 | C3 | 179.2° | 180.0° |
| O | C5 | C2 | C1 | 4.9° | 0.0° |
| O | C5 | N1 | H1 | 178.1° | 180.0° |
| C5 | C2 | C3 | C1 | 174.2° | 180.0° |
| C5 | C2 | C3 | N | 171.2° | 179.4° |
| C5 | C2 | C1 | C | 171.8° | 179.9° |
| C2 | C5 | N1 | H1 | 0.1° | 0.1° |
| C5 | C2 | C1 | H5 | 8.3° | 0.2° |
| C5 | C2 | C3 | H9 | 8.8° | 0.3° |
| C2 | C3 | N | H9 | 180.0° | 179.1° |
| C3 | C2 | C1 | C | 2.5° | 0.0° |
| C2 | C3 | N | C4 | 1.0° | 0.9° |
| C3 | C2 | C1 | H5 | 177.5° | 179.8° |
| C1 | C2 | C3 | N | 3.0° | 0.5° |
| C2 | C1 | C | H5 | 180.0° | 179.8° |
| C2 | C1 | C | C4 | 0.5° | 0.2° |
| C1 | C2 | C3 | H9 | 177.0° | 179.7° |
| C2 | C1 | C | H10 | 179.5° | 179.7° |
| C3 | N | C4 | C | 1.1° | 0.6° |
| C3 | N | C4 | H8 | 178.9° | 179.5° |
| C1 | C | C4 | N | 1.5° | 0.1° |
| C1 | C | C4 | H10 | 180.0° | 179.9° |
| C1 | C | C4 | H8 | 178.5° | 180.0° |
| N | C4 | C | H8 | 180.0° | 179.9° |
| C4 | N | C3 | H9 | 179.0° | 180.0° |
| N | C4 | C | H10 | 178.6° | 179.9° |
| C4 | C | C1 | H5 | 179.5° | 180.0° |
| H1 | N1 | C6 | H6 | 53.5° | 120.2° |
| H1 | N1 | C6 | H7 | 171.9° | 119.8° |
| H2 | C7 | C6 | H6 | 64.2° | 60.0° |
| H2 | C7 | C6 | H7 | 177.3° | 180.0° |
| H3 | C7 | C6 | H6 | 54.7° | 180.0° |
| H3 | C7 | C6 | H7 | 63.7° | 60.0° |
| H4 | C9 | C10 | H12 | 0.2° | 0.2° |
| H5 | C1 | C | H10 | 0.6° | 0.1° |
| H8 | C4 | C | H10 | 1.4° | 0.2° |
| H11 | C11 | C10 | H12 | 0.2° | 0.4° |
