VZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C1 | O | sing | 1.45Å | 1.39Å | |
| O1 | C2 | doub | 1.22Å | 1.20Å | |
| O | C2 | sing | 1.35Å | 1.34Å | |
| C2 | N | sing | 1.35Å | 1.36Å | |
| N | C3 | sing | 1.47Å | 1.46Å | |
| N | C4 | sing | 1.40Å | 1.43Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | N1 | sing | 1.40Å | 1.37Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 107.8° | 109.5° |
| C | C1 | H5 | 109.9° | 109.4° |
| C | C1 | H6 | 109.9° | 109.5° |
| C1 | C | H12 | 109.5° | 109.4° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | O | C2 | 116.7° | 117.0° |
| O | C1 | H5 | 109.9° | 109.4° |
| O | C1 | H6 | 109.9° | 109.5° |
| O1 | C2 | O | 123.7° | 120.1° |
| O1 | C2 | N | 122.9° | 119.9° |
| O | C2 | N | 113.4° | 120.0° |
| C2 | N | C3 | 115.6° | 120.0° |
| C2 | N | C4 | 121.6° | 120.0° |
| C3 | N | C4 | 120.5° | 120.0° |
| N | C3 | H9 | 109.5° | 109.4° |
| N | C3 | H10 | 109.4° | 109.4° |
| N | C3 | H11 | 109.5° | 109.5° |
| N | C4 | C5 | 119.7° | 120.0° |
| N | C4 | C9 | 120.1° | 120.0° |
| C5 | C4 | C9 | 120.2° | 119.9° |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C4 | C5 | H7 | 119.7° | 120.0° |
| C4 | C9 | C8 | 119.3° | 120.1° |
| C4 | C9 | H4 | 120.4° | 119.9° |
| C5 | C6 | C7 | 119.5° | 120.0° |
| C6 | C5 | H7 | 119.7° | 120.0° |
| C5 | C6 | H8 | 120.3° | 120.0° |
| C9 | C8 | C7 | 120.4° | 119.9° |
| C9 | C8 | H3 | 119.8° | 120.0° |
| C8 | C9 | H4 | 120.4° | 120.0° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C6 | C7 | N1 | 119.4° | 120.0° |
| C7 | C6 | H8 | 120.2° | 120.0° |
| C8 | C7 | N1 | 120.5° | 120.0° |
| C7 | C8 | H3 | 119.8° | 120.0° |
| C7 | N1 | H1 | 109.5° | 120.0° |
| C7 | N1 | H2 | 109.5° | 120.0° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H11 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.5° | 109.6° |
| H13 | C | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | H5 | 119.7° | 120.0° |
| C | C1 | O | H6 | 119.7° | 120.0° |
| C | C1 | O | C2 | 104.0° | 180.0° |
| C | C1 | H5 | H6 | 120.8° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 119.9° |
| C1 | C | H12 | H14 | 120.0° | 120.1° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | O | C2 | O1 | 2.0° | 0.0° |
| C1 | O | C2 | N | 177.9° | 180.0° |
| O | C1 | H5 | H6 | 120.8° | 120.0° |
| O | C1 | C | H12 | 180.0° | 180.0° |
| O | C1 | C | H13 | 60.0° | 60.0° |
| O | C1 | C | H14 | 60.0° | 59.9° |
| O1 | C2 | O | N | 179.9° | 180.0° |
| O1 | C2 | N | C3 | 10.6° | 175.2° |
| O1 | C2 | N | C4 | 173.6° | 4.8° |
| O | C2 | N | C3 | 169.3° | 4.8° |
| O | C2 | N | C4 | 6.3° | 175.2° |
| C2 | O | C1 | H5 | 15.7° | 60.0° |
| C2 | O | C1 | H6 | 136.3° | 60.0° |
| C2 | N | C3 | C4 | 163.2° | 180.0° |
| C2 | N | C4 | C5 | 75.4° | 67.7° |
| C2 | N | C4 | C9 | 104.8° | 112.6° |
| C2 | N | C3 | H9 | 180.0° | 90.0° |
| C2 | N | C3 | H10 | 60.0° | 150.0° |
| C2 | N | C3 | H11 | 60.0° | 30.0° |
| C3 | N | C4 | C5 | 86.8° | 112.3° |
| C3 | N | C4 | C9 | 93.0° | 67.5° |
| N | C3 | H9 | H10 | 120.0° | 119.9° |
| N | C3 | H9 | H11 | 120.0° | 120.0° |
| N | C3 | H10 | H11 | 120.0° | 120.0° |
| N | C4 | C5 | C9 | 179.7° | 179.8° |
| N | C4 | C5 | C6 | 179.6° | 179.9° |
| N | C4 | C9 | C8 | 179.4° | 179.9° |
| N | C4 | C9 | H4 | 0.6° | 0.0° |
| N | C4 | C5 | H7 | 0.4° | 0.1° |
| C4 | N | C3 | H9 | 16.8° | 90.0° |
| C4 | N | C3 | H10 | 103.2° | 30.0° |
| C4 | N | C3 | H11 | 136.8° | 150.0° |
| C4 | C5 | C6 | H7 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 0.3° | 0.3° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | C4 | C9 | H4 | 179.7° | 179.8° |
| C4 | C5 | C6 | H8 | 179.6° | 180.0° |
| C9 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | C9 | C8 | H4 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C4 | C9 | C8 | H3 | 179.9° | 179.9° |
| C9 | C4 | C5 | H7 | 179.9° | 179.7° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.3° |
| C5 | C6 | C7 | N1 | 178.2° | 180.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.3° |
| C9 | C8 | C7 | H3 | 180.0° | 179.9° |
| C9 | C8 | C7 | N1 | 178.5° | 180.0° |
| C6 | C7 | C8 | N1 | 178.8° | 179.7° |
| C6 | C7 | N1 | H1 | 180.0° | 179.7° |
| C6 | C7 | N1 | H2 | 60.0° | 0.5° |
| C6 | C7 | C8 | H3 | 179.7° | 179.8° |
| C7 | C6 | C5 | H7 | 179.6° | 180.0° |
| C8 | C7 | N1 | H1 | 1.2° | 0.0° |
| C8 | C7 | N1 | H2 | 121.2° | 179.8° |
| C7 | C8 | C9 | H4 | 179.9° | 179.9° |
| C8 | C7 | C6 | H8 | 179.4° | 179.7° |
| C7 | N1 | H1 | H2 | 120.0° | 179.8° |
| N1 | C7 | C8 | H3 | 1.5° | 0.1° |
| N1 | C7 | C6 | H8 | 1.8° | 0.0° |
| H3 | C8 | C9 | H4 | 0.1° | 0.0° |
| H5 | C1 | C | H12 | 60.3° | 60.1° |
| H5 | C1 | C | H13 | 59.7° | 179.9° |
| H5 | C1 | C | H14 | 179.7° | 60.0° |
| H6 | C1 | C | H12 | 60.2° | 60.0° |
| H6 | C1 | C | H13 | 179.8° | 60.0° |
| H6 | C1 | C | H14 | 59.8° | 179.9° |
| H7 | C5 | C6 | H8 | 0.4° | 0.1° |
| H9 | C3 | H10 | H11 | 120.0° | 120.1° |
| H12 | C | H13 | H14 | 120.0° | 120.1° |
