VVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.21Å | 1.19Å | |
| C3 | O | sing | 1.34Å | 1.20Å | |
| C3 | C1 | sing | 1.51Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| N | C4 | sing | 1.40Å | 1.33Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| O2 | C9 | sing | 1.36Å | 1.31Å | |
| O2 | C10 | sing | 1.43Å | 1.36Å | |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| O | H8 | sing | 0.97Å | 0.95Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | O | 120.8° | 120.0° |
| O1 | C3 | C1 | 119.6° | 120.0° |
| O | C3 | C1 | 119.6° | 120.0° |
| C3 | O | H8 | 109.5° | 117.0° |
| C3 | C1 | C | 110.6° | 109.5° |
| C3 | C1 | N | 107.0° | 109.5° |
| C3 | C1 | C2 | 108.9° | 109.5° |
| C | C1 | N | 109.0° | 109.4° |
| C | C1 | C2 | 107.3° | 109.4° |
| C1 | C | H9 | 109.5° | 109.4° |
| C1 | C | H10 | 109.4° | 109.5° |
| C1 | C | H11 | 109.4° | 109.5° |
| C1 | N | C4 | 125.5° | 120.0° |
| N | C1 | C2 | 114.1° | 109.5° |
| C1 | N | H12 | 105.3° | 120.0° |
| N | C4 | C5 | 119.2° | 120.1° |
| N | C4 | C9 | 123.5° | 120.1° |
| C4 | N | H12 | 105.3° | 120.1° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.4° |
| C5 | C4 | C9 | 117.3° | 119.8° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| C4 | C5 | H3 | 119.1° | 120.0° |
| C4 | C9 | O2 | 116.5° | 120.1° |
| C4 | C9 | C8 | 121.4° | 119.8° |
| C5 | C6 | C7 | 120.6° | 120.2° |
| C6 | C5 | H3 | 119.1° | 120.0° |
| C5 | C6 | H4 | 119.7° | 119.9° |
| C9 | O2 | C10 | 115.5° | 117.0° |
| O2 | C9 | C8 | 122.0° | 120.1° |
| O2 | C10 | H13 | 109.5° | 109.5° |
| O2 | C10 | H14 | 109.5° | 109.5° |
| O2 | C10 | H15 | 109.5° | 109.5° |
| C9 | C8 | C7 | 120.9° | 120.1° |
| C9 | C8 | H2 | 119.5° | 119.9° |
| C6 | C7 | C8 | 118.1° | 120.2° |
| C6 | C7 | H1 | 121.0° | 119.9° |
| C7 | C6 | H4 | 119.7° | 119.9° |
| C8 | C7 | H1 | 120.9° | 119.9° |
| C7 | C8 | H2 | 119.5° | 120.0° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H5 | C2 | H7 | 109.5° | 109.4° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.4° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | O | C1 | 178.5° | 179.9° |
| O1 | C3 | C1 | C | 87.7° | 25.0° |
| O1 | C3 | C1 | N | 30.9° | 145.0° |
| O1 | C3 | C1 | C2 | 154.7° | 95.0° |
| O1 | C3 | O | H8 | 0.0° | 0.1° |
| O | C3 | C1 | C | 90.8° | 155.0° |
| O | C3 | C1 | N | 150.6° | 35.0° |
| O | C3 | C1 | C2 | 26.8° | 85.0° |
| C3 | C1 | C | N | 117.4° | 120.0° |
| C3 | C1 | C | C2 | 118.6° | 120.0° |
| C3 | C1 | N | C2 | 120.5° | 120.1° |
| C3 | C1 | N | C4 | 65.6° | 174.6° |
| C3 | C1 | C2 | H5 | 180.0° | 55.5° |
| C3 | C1 | C2 | H6 | 60.0° | 175.6° |
| C3 | C1 | C2 | H7 | 60.0° | 64.4° |
| C1 | C3 | O | H8 | 178.5° | 180.0° |
| C3 | C1 | C | H9 | 180.0° | 55.0° |
| C3 | C1 | C | H10 | 60.0° | 65.0° |
| C3 | C1 | C | H11 | 60.0° | 175.0° |
| C3 | C1 | N | H12 | 172.3° | 5.4° |
| C | C1 | N | C2 | 119.8° | 119.9° |
| C | C1 | N | C4 | 174.8° | 54.6° |
| C | C1 | C2 | H5 | 60.3° | 64.5° |
| C | C1 | C2 | H6 | 179.7° | 55.6° |
| C | C1 | C2 | H7 | 59.7° | 175.6° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C | C1 | N | H12 | 52.6° | 125.4° |
| C1 | N | C4 | H12 | 122.2° | 180.0° |
| C1 | N | C4 | C5 | 25.1° | 6.4° |
| C1 | N | C4 | C9 | 152.6° | 173.3° |
| N | C1 | C2 | H5 | 60.5° | 175.6° |
| N | C1 | C2 | H6 | 59.5° | 64.4° |
| N | C1 | C2 | H7 | 179.5° | 55.6° |
| N | C1 | C | H9 | 62.6° | 175.1° |
| N | C1 | C | H10 | 177.4° | 55.0° |
| N | C1 | C | H11 | 57.4° | 65.0° |
| C4 | N | C1 | C2 | 54.9° | 65.3° |
| N | C4 | C5 | C9 | 177.8° | 179.7° |
| N | C4 | C5 | C6 | 177.7° | 180.0° |
| N | C4 | C9 | O2 | 1.7° | 0.0° |
| N | C4 | C9 | C8 | 178.4° | 180.0° |
| N | C4 | C5 | H3 | 2.3° | 0.0° |
| C1 | C2 | H5 | H6 | 120.0° | 120.1° |
| C1 | C2 | H5 | H7 | 120.0° | 119.9° |
| C1 | C2 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | C | H9 | 61.4° | 65.0° |
| C2 | C1 | C | H10 | 58.7° | 175.0° |
| C2 | C1 | C | H11 | 178.6° | 54.9° |
| C2 | C1 | N | H12 | 67.2° | 114.7° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C9 | O2 | 176.1° | 179.7° |
| C5 | C4 | C9 | C8 | 0.7° | 0.3° |
| C4 | C5 | C6 | C7 | 0.6° | 0.1° |
| C4 | C5 | C6 | H4 | 179.4° | 180.0° |
| C5 | C4 | N | H12 | 147.3° | 173.6° |
| C9 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | C9 | O2 | C8 | 176.8° | 180.0° |
| C4 | C9 | O2 | C10 | 164.8° | 180.0° |
| C4 | C9 | C8 | C7 | 1.0° | 0.0° |
| C4 | C9 | C8 | H2 | 178.9° | 180.0° |
| C9 | C4 | C5 | H3 | 179.9° | 179.8° |
| C9 | C4 | N | H12 | 30.4° | 6.7° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.2° |
| C5 | C6 | C7 | H1 | 179.7° | 180.0° |
| O2 | C9 | C8 | C7 | 175.6° | 180.0° |
| O2 | C9 | C8 | H2 | 4.5° | 0.0° |
| C9 | O2 | C10 | H13 | 180.0° | 60.0° |
| C9 | O2 | C10 | H14 | 60.0° | 60.0° |
| C9 | O2 | C10 | H15 | 60.0° | 180.0° |
| C10 | O2 | C9 | C8 | 12.0° | 0.0° |
| O2 | C10 | H13 | H14 | 120.0° | 120.0° |
| O2 | C10 | H13 | H15 | 120.0° | 120.0° |
| O2 | C10 | H14 | H15 | 120.0° | 120.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.2° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | H1 | 179.5° | 180.0° |
| C6 | C7 | C8 | H1 | 180.0° | 179.7° |
| C6 | C7 | C8 | H2 | 179.5° | 179.7° |
| C7 | C6 | C5 | H3 | 179.4° | 180.0° |
| C8 | C7 | C6 | H4 | 179.7° | 179.7° |
| H1 | C7 | C8 | H2 | 0.5° | 0.0° |
| H1 | C7 | C6 | H4 | 0.3° | 0.0° |
| H3 | C5 | C6 | H4 | 0.6° | 0.1° |
| H5 | C2 | H6 | H7 | 120.0° | 120.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H13 | C10 | H14 | H15 | 120.0° | 119.9° |
