V5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.17Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| BR | C5 | sing | 1.89Å | 1.91Å | |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N | sing | 1.40Å | 1.48Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | C1 | sing | 1.47Å | 1.44Å | |
| C1 | C | sing | 1.53Å | 1.46Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | H10 | 111.0° | 109.4° |
| O | C | H11 | 111.0° | 109.5° |
| C | O | H | 109.5° | 114.0° |
| O | C | C1 | 103.1° | 109.5° |
| C3 | C4 | C5 | 119.6° | 120.1° |
| C4 | C3 | C2 | 121.0° | 119.9° |
| C3 | C4 | H7 | 120.2° | 120.0° |
| C4 | C3 | H6 | 119.5° | 120.0° |
| C4 | C5 | BR | 119.3° | 119.9° |
| C4 | C5 | C6 | 120.8° | 120.1° |
| C5 | C4 | H7 | 120.2° | 119.9° |
| C3 | C2 | C7 | 118.1° | 119.9° |
| C3 | C2 | N | 122.0° | 120.0° |
| C2 | C3 | H6 | 119.5° | 120.1° |
| BR | C5 | C6 | 119.9° | 119.9° |
| C2 | C7 | C6 | 120.9° | 119.9° |
| C7 | C2 | N | 119.9° | 120.1° |
| C2 | C7 | H9 | 119.6° | 120.1° |
| C5 | C6 | C7 | 119.4° | 120.1° |
| C5 | C6 | H8 | 120.3° | 120.0° |
| C7 | C6 | H8 | 120.3° | 120.0° |
| C6 | C7 | H9 | 119.6° | 120.0° |
| C2 | N | H1 | 105.3° | 120.1° |
| C2 | N | C1 | 125.5° | 120.0° |
| H10 | C | H11 | 109.5° | 109.5° |
| H10 | C | C1 | 111.0° | 109.5° |
| H11 | C | C1 | 111.0° | 109.5° |
| H13 | C1 | H4 | 109.5° | 109.4° |
| H13 | C1 | N | 117.9° | 109.4° |
| H13 | C1 | C | 117.8° | 109.5° |
| H4 | C1 | N | 117.9° | 109.5° |
| H4 | C1 | C | 117.8° | 109.5° |
| H1 | N | C1 | 105.3° | 119.9° |
| N | C1 | C | 72.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | H10 | H11 | 122.9° | 120.0° |
| O | C | H10 | C1 | 114.1° | 120.0° |
| O | C | H11 | C1 | 114.1° | 120.0° |
| O | C | C1 | H13 | 31.8° | 55.0° |
| O | C | C1 | H4 | 166.6° | 175.0° |
| O | C | C1 | N | 80.8° | 65.0° |
| C3 | C4 | C5 | H7 | 180.0° | 180.0° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C3 | C4 | C5 | BR | 176.8° | 179.9° |
| C4 | C3 | C2 | C7 | 5.6° | 0.2° |
| C3 | C4 | C5 | C6 | 0.8° | 0.3° |
| C4 | C3 | C2 | N | 174.9° | 180.0° |
| C5 | C4 | C3 | C2 | 3.9° | 0.0° |
| C4 | C5 | BR | C6 | 177.5° | 179.7° |
| C4 | C5 | C6 | C7 | 3.5° | 0.3° |
| C5 | C4 | C3 | H6 | 176.1° | 180.0° |
| C4 | C5 | C6 | H8 | 176.4° | 179.8° |
| C3 | C2 | C7 | N | 179.6° | 179.7° |
| C3 | C2 | C7 | C6 | 2.7° | 0.2° |
| C2 | C3 | C4 | H7 | 176.1° | 180.0° |
| C3 | C2 | C7 | H9 | 177.2° | 179.7° |
| C3 | C2 | N | H1 | 107.7° | 0.0° |
| C3 | C2 | N | C1 | 14.5° | 179.7° |
| BR | C5 | C6 | C7 | 174.0° | 179.9° |
| BR | C5 | C4 | H7 | 3.2° | 0.0° |
| BR | C5 | C6 | H8 | 6.1° | 0.0° |
| C2 | C7 | C6 | C5 | 1.7° | 0.1° |
| C2 | C7 | C6 | H9 | 180.0° | 179.9° |
| C7 | C2 | C3 | H6 | 174.5° | 179.7° |
| C2 | C7 | C6 | H8 | 178.2° | 180.0° |
| C7 | C2 | N | H1 | 72.8° | 179.8° |
| C7 | C2 | N | C1 | 165.1° | 0.6° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C6 | C5 | C4 | H7 | 179.3° | 179.7° |
| C5 | C6 | C7 | H9 | 178.3° | 180.0° |
| C6 | C7 | C2 | N | 177.7° | 179.9° |
| N | C2 | C3 | H6 | 5.1° | 0.0° |
| N | C2 | C7 | H9 | 2.4° | 0.0° |
| C2 | N | C1 | H13 | 157.1° | 60.3° |
| C2 | N | C1 | H4 | 22.3° | 59.6° |
| C2 | N | H1 | C1 | 134.4° | 179.6° |
| C2 | N | C1 | C | 90.3° | 179.7° |
| H10 | C | H11 | C1 | 122.9° | 120.0° |
| H10 | C | O | H | 61.0° | 60.0° |
| H10 | C | C1 | H13 | 150.8° | 175.0° |
| H10 | C | C1 | H4 | 74.4° | 65.1° |
| H10 | C | C1 | N | 38.2° | 55.0° |
| H11 | C | O | H | 61.0° | 60.0° |
| H11 | C | C1 | H13 | 87.2° | 65.0° |
| H11 | C | C1 | H4 | 47.6° | 54.9° |
| H11 | C | C1 | N | 160.2° | 175.0° |
| H | O | C | C1 | 180.0° | 180.0° |
| H7 | C4 | C3 | H6 | 3.9° | 0.0° |
| H8 | C6 | C7 | H9 | 1.7° | 0.1° |
| H13 | C1 | H4 | N | 138.3° | 119.9° |
| H13 | C1 | H4 | C | 138.3° | 120.0° |
| H13 | C1 | N | H1 | 80.7° | 120.1° |
| H13 | C1 | N | C | 112.6° | 120.0° |
| H4 | C1 | N | H1 | 144.4° | 120.0° |
| H4 | C1 | N | C | 112.6° | 120.1° |
| H1 | N | C1 | C | 31.9° | 0.1° |
