V2U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.40Å | |
| O | C1 | sing | 1.36Å | 1.36Å | |
| C1 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| O2 | C8 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.41Å | |
| O1 | C7 | sing | 1.43Å | 1.40Å | |
| C8 | N | sing | 1.35Å | 1.36Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | CL | sing | 1.80Å | 1.82Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 118.7° | 117.0° |
| O | C | H10 | 109.5° | 109.5° |
| O | C | H11 | 109.4° | 109.4° |
| O | C | H12 | 109.5° | 109.5° |
| O | C1 | C6 | 123.3° | 120.0° |
| O | C1 | C2 | 114.6° | 119.9° |
| C6 | C1 | C2 | 122.0° | 120.1° |
| C1 | C6 | C5 | 118.1° | 120.0° |
| C1 | C6 | H6 | 121.0° | 120.0° |
| C1 | C2 | C3 | 116.8° | 119.9° |
| C1 | C2 | H8 | 121.6° | 120.0° |
| C6 | C5 | O1 | 114.0° | 120.0° |
| C6 | C5 | C4 | 122.3° | 120.0° |
| C5 | C6 | H6 | 120.9° | 120.0° |
| C2 | C3 | C4 | 122.8° | 120.0° |
| C2 | C3 | N | 119.3° | 120.0° |
| C3 | C2 | H8 | 121.6° | 120.0° |
| O1 | C5 | C4 | 123.6° | 120.0° |
| C5 | O1 | C7 | 116.8° | 117.0° |
| C5 | C4 | C3 | 117.9° | 120.0° |
| C5 | C4 | H7 | 121.0° | 120.0° |
| O2 | C8 | N | 125.5° | 120.0° |
| O2 | C8 | C9 | 121.0° | 120.0° |
| C4 | C3 | N | 117.8° | 120.0° |
| C3 | C4 | H7 | 121.1° | 120.0° |
| C3 | N | C8 | 126.8° | 120.0° |
| C3 | N | H9 | 116.6° | 120.0° |
| O1 | C7 | H1 | 109.5° | 109.4° |
| O1 | C7 | H2 | 109.5° | 109.5° |
| O1 | C7 | H3 | 109.4° | 109.5° |
| N | C8 | C9 | 113.5° | 120.0° |
| C8 | N | H9 | 116.6° | 120.0° |
| C8 | C9 | CL | 108.0° | 109.4° |
| C8 | C9 | H4 | 109.8° | 109.5° |
| C8 | C9 | H5 | 109.9° | 109.5° |
| CL | C9 | H4 | 109.9° | 109.5° |
| CL | C9 | H5 | 109.9° | 109.4° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H1 | C7 | H3 | 109.4° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C6 | 134.4° | 0.1° |
| C | O | C1 | C2 | 48.5° | 179.7° |
| O | C | H10 | H11 | 120.0° | 120.0° |
| O | C | H10 | H12 | 120.0° | 120.0° |
| O | C | H11 | H12 | 120.0° | 120.0° |
| O | C1 | C6 | C2 | 176.9° | 179.8° |
| O | C1 | C6 | C5 | 175.7° | 179.8° |
| O | C1 | C2 | C3 | 176.2° | 179.8° |
| O | C1 | C6 | H6 | 4.3° | 0.2° |
| O | C1 | C2 | H8 | 3.8° | 0.2° |
| C1 | O | C | H10 | 180.0° | 59.9° |
| C1 | O | C | H11 | 60.0° | 60.1° |
| C1 | O | C | H12 | 60.0° | 180.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C1 | C6 | C5 | O1 | 176.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.8° | 0.0° |
| C6 | C1 | C2 | H8 | 179.1° | 180.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.0° |
| C1 | C2 | C3 | H8 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | N | 179.7° | 179.9° |
| C2 | C1 | C6 | H6 | 178.8° | 180.0° |
| C6 | C5 | O1 | C4 | 177.4° | 179.9° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | O1 | C7 | 176.8° | 0.1° |
| C6 | C5 | C4 | H7 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | N | 179.5° | 179.9° |
| C2 | C3 | N | C8 | 18.0° | 144.9° |
| C2 | C3 | C4 | H7 | 179.8° | 180.0° |
| C2 | C3 | N | H9 | 162.0° | 35.2° |
| O1 | C5 | C4 | C3 | 177.1° | 180.0° |
| C5 | O1 | C7 | H1 | 180.0° | 179.9° |
| C5 | O1 | C7 | H2 | 60.0° | 60.0° |
| C5 | O1 | C7 | H3 | 60.0° | 60.0° |
| O1 | C5 | C6 | H6 | 3.3° | 0.1° |
| O1 | C5 | C4 | H7 | 2.9° | 0.1° |
| C5 | C4 | C3 | H7 | 180.0° | 179.9° |
| C5 | C4 | C3 | N | 179.3° | 179.9° |
| C4 | C5 | O1 | C7 | 0.6° | 180.0° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| O2 | C8 | N | C3 | 0.4° | 4.6° |
| O2 | C8 | N | C9 | 180.0° | 179.9° |
| O2 | C8 | C9 | CL | 8.2° | 0.1° |
| O2 | C8 | C9 | H4 | 111.6° | 120.0° |
| O2 | C8 | C9 | H5 | 128.0° | 119.9° |
| O2 | C8 | N | H9 | 179.6° | 175.3° |
| C4 | C3 | N | C8 | 162.5° | 35.1° |
| C4 | C3 | C2 | H8 | 179.8° | 180.0° |
| C4 | C3 | N | H9 | 17.5° | 144.9° |
| C3 | N | C8 | H9 | 180.0° | 179.9° |
| C3 | N | C8 | C9 | 179.6° | 175.4° |
| N | C3 | C4 | H7 | 0.7° | 0.0° |
| N | C3 | C2 | H8 | 0.3° | 0.1° |
| O1 | C7 | H1 | H2 | 120.0° | 120.0° |
| O1 | C7 | H1 | H3 | 120.0° | 120.0° |
| O1 | C7 | H2 | H3 | 120.0° | 120.0° |
| N | C8 | C9 | CL | 171.8° | 180.0° |
| N | C8 | C9 | H4 | 68.4° | 60.0° |
| N | C8 | C9 | H5 | 52.1° | 60.0° |
| C8 | C9 | CL | H4 | 119.7° | 120.0° |
| C8 | C9 | CL | H5 | 119.8° | 120.0° |
| C8 | C9 | H4 | H5 | 120.7° | 120.1° |
| C9 | C8 | N | H9 | 0.4° | 4.6° |
| CL | C9 | H4 | H5 | 120.7° | 120.0° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
