V3U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C6 | sing | 1.89Å | 1.90Å | |
| C5 | C6 | sing | 1.40Å | 1.39Å | |
| C5 | C4 | doub | 1.35Å | 1.35Å | |
| C6 | C7 | doub | 1.37Å | 1.38Å | |
| C4 | N1 | sing | 1.36Å | 1.37Å | |
| C7 | C8 | sing | 1.40Å | 1.43Å | |
| N1 | C8 | sing | 1.35Å | 1.41Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C8 | O2 | doub | 1.22Å | 1.24Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C6 | C5 | 120.5° | 120.4° |
| BR1 | C6 | C7 | 118.7° | 120.4° |
| C6 | C5 | C4 | 120.0° | 119.9° |
| C5 | C6 | C7 | 120.8° | 119.2° |
| C6 | C5 | H9 | 120.0° | 120.1° |
| C5 | C4 | N1 | 121.0° | 120.8° |
| C5 | C4 | H8 | 119.5° | 119.6° |
| C4 | C5 | H9 | 120.0° | 120.1° |
| C6 | C7 | C8 | 119.9° | 119.3° |
| C6 | C7 | H10 | 120.0° | 120.3° |
| C4 | N1 | C8 | 121.4° | 120.7° |
| C4 | N1 | C3 | 121.2° | 119.6° |
| N1 | C4 | H8 | 119.5° | 119.6° |
| C7 | C8 | N1 | 116.8° | 120.1° |
| C7 | C8 | O2 | 124.0° | 120.0° |
| C8 | C7 | H10 | 120.0° | 120.4° |
| C8 | N1 | C3 | 117.4° | 119.7° |
| N1 | C8 | O2 | 119.1° | 119.9° |
| N1 | C3 | C2 | 114.6° | 109.5° |
| N1 | C3 | H7 | 108.2° | 109.4° |
| N1 | C3 | H6 | 108.2° | 109.4° |
| C3 | C2 | O1 | 110.1° | 109.5° |
| C2 | C3 | H7 | 108.2° | 109.5° |
| C2 | C3 | H6 | 108.2° | 109.5° |
| C3 | C2 | H5 | 109.3° | 109.4° |
| C3 | C2 | H4 | 109.3° | 109.5° |
| C2 | O1 | C1 | 114.8° | 114.0° |
| O1 | C2 | H5 | 109.3° | 109.5° |
| O1 | C2 | H4 | 109.3° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.4° | 109.4° |
| H7 | C3 | H6 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C6 | C5 | C7 | 179.9° | 179.9° |
| BR1 | C6 | C5 | C4 | 179.5° | 180.0° |
| BR1 | C6 | C7 | C8 | 179.4° | 180.0° |
| BR1 | C6 | C5 | H9 | 0.5° | 0.0° |
| BR1 | C6 | C7 | H10 | 0.6° | 0.0° |
| C6 | C5 | C4 | H9 | 180.0° | 180.0° |
| C6 | C5 | C4 | N1 | 0.5° | 0.1° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C6 | C5 | C4 | H8 | 179.5° | 179.7° |
| C5 | C6 | C7 | H10 | 179.5° | 179.9° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C5 | C4 | N1 | H8 | 180.0° | 179.8° |
| C5 | C4 | N1 | C8 | 1.1° | 0.0° |
| C5 | C4 | N1 | C3 | 179.4° | 179.8° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C6 | C7 | C8 | N1 | 0.1° | 0.0° |
| C6 | C7 | C8 | O2 | 179.4° | 180.0° |
| C7 | C6 | C5 | H9 | 179.7° | 180.0° |
| C4 | N1 | C8 | C7 | 0.9° | 0.0° |
| C4 | N1 | C8 | C3 | 178.4° | 179.8° |
| C4 | N1 | C8 | O2 | 179.7° | 180.0° |
| C4 | N1 | C3 | C2 | 113.2° | 90.0° |
| N1 | C4 | C5 | H9 | 179.5° | 180.0° |
| C4 | N1 | C3 | H7 | 7.6° | 150.0° |
| C4 | N1 | C3 | H6 | 126.1° | 30.0° |
| C7 | C8 | N1 | O2 | 179.4° | 180.0° |
| C7 | C8 | N1 | C3 | 179.3° | 179.8° |
| C8 | N1 | C3 | C2 | 68.5° | 90.2° |
| C8 | N1 | C4 | H8 | 178.9° | 179.8° |
| N1 | C8 | C7 | H10 | 179.9° | 180.0° |
| C8 | N1 | C3 | H7 | 170.7° | 29.8° |
| C8 | N1 | C3 | H6 | 52.3° | 149.8° |
| C3 | N1 | C8 | O2 | 1.4° | 0.2° |
| N1 | C3 | C2 | H7 | 120.7° | 120.0° |
| N1 | C3 | C2 | H6 | 120.8° | 120.0° |
| N1 | C3 | C2 | O1 | 165.7° | 65.0° |
| C3 | N1 | C4 | H8 | 0.6° | 0.0° |
| N1 | C3 | H7 | H6 | 117.7° | 119.9° |
| N1 | C3 | C2 | H5 | 45.6° | 175.0° |
| N1 | C3 | C2 | H4 | 74.2° | 55.0° |
| O2 | C8 | C7 | H10 | 0.5° | 0.0° |
| C3 | C2 | O1 | H5 | 120.1° | 120.0° |
| C3 | C2 | O1 | H4 | 120.1° | 120.0° |
| C3 | C2 | O1 | C1 | 78.4° | 180.0° |
| C2 | C3 | H7 | H6 | 117.7° | 120.1° |
| C3 | C2 | H5 | H4 | 119.7° | 120.0° |
| O1 | C2 | C3 | H7 | 73.6° | 55.0° |
| O1 | C2 | C3 | H6 | 44.9° | 175.1° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | H5 | H4 | 119.7° | 120.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | O1 | C2 | H5 | 161.5° | 60.0° |
| C1 | O1 | C2 | H4 | 41.7° | 60.1° |
| H8 | C4 | C5 | H9 | 0.5° | 0.2° |
| H7 | C3 | C2 | H5 | 166.3° | 65.0° |
| H7 | C3 | C2 | H4 | 46.6° | 175.0° |
| H6 | C3 | C2 | H5 | 75.2° | 55.1° |
| H6 | C3 | C2 | H4 | 165.0° | 65.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
