VK3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1K | O1K | doub | 1.21Å | 1.24Å | |
| C1K | C2K | sing | 1.47Å | 1.47Å | |
| C1K | C10 | sing | 1.48Å | 1.45Å | |
| C2K | C3K | doub | 1.34Å | 1.38Å | |
| C2K | H2K1 | sing | 1.08Å | 1.10Å | |
| C3K | C4K | sing | 1.48Å | 1.48Å | |
| C3K | C11 | sing | 1.51Å | 1.54Å | |
| C4K | O4K | doub | 1.21Å | 1.24Å | |
| C4K | C5K | sing | 1.48Å | 1.45Å | |
| C5K | C6K | doub | 1.39Å | 1.37Å | Aromatic |
| C5K | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C6K | C7K | sing | 1.39Å | 1.37Å | Aromatic |
| C6K | H6K1 | sing | 1.08Å | 1.10Å | |
| C7K | C8K | doub | 1.38Å | 1.37Å | Aromatic |
| C7K | H7K1 | sing | 1.08Å | 1.10Å | |
| C8K | C9K | sing | 1.39Å | 1.36Å | Aromatic |
| C8K | H8K1 | sing | 1.08Å | 1.10Å | |
| C9K | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C9K | H9K1 | sing | 1.08Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1K | C1K | C2K | 116.5° | 120.1° |
| O1K | C1K | C10 | 123.9° | 120.2° |
| C2K | C1K | C10 | 119.2° | 119.7° |
| C1K | C2K | C3K | 120.0° | 121.0° |
| C1K | C2K | H2K1 | 123.1° | 119.5° |
| C1K | C10 | C5K | 119.7° | 119.3° |
| C1K | C10 | C9K | 120.4° | 120.9° |
| C3K | C2K | H2K1 | 116.8° | 119.5° |
| C2K | C3K | C4K | 121.3° | 120.9° |
| C2K | C3K | C11 | 119.1° | 119.6° |
| C4K | C3K | C11 | 119.6° | 119.5° |
| C3K | C4K | O4K | 114.7° | 120.1° |
| C3K | C4K | C5K | 117.7° | 119.7° |
| C3K | C11 | H111 | 119.1° | 109.5° |
| C3K | C11 | H112 | 108.8° | 109.5° |
| C3K | C11 | H113 | 108.8° | 109.5° |
| O4K | C4K | C5K | 127.5° | 120.1° |
| C4K | C5K | C6K | 118.6° | 120.9° |
| C4K | C5K | C10 | 121.5° | 119.3° |
| C6K | C5K | C10 | 119.8° | 119.8° |
| C5K | C6K | C7K | 119.0° | 119.8° |
| C5K | C6K | H6K1 | 120.4° | 120.1° |
| C5K | C10 | C9K | 119.9° | 119.8° |
| C7K | C6K | H6K1 | 120.6° | 120.1° |
| C6K | C7K | C8K | 121.6° | 120.5° |
| C6K | C7K | H7K1 | 119.2° | 119.8° |
| C8K | C7K | H7K1 | 119.1° | 119.7° |
| C7K | C8K | C9K | 120.3° | 120.4° |
| C7K | C8K | H8K1 | 120.0° | 119.8° |
| C9K | C8K | H8K1 | 119.8° | 119.8° |
| C8K | C9K | C10 | 119.4° | 119.8° |
| C8K | C9K | H9K1 | 119.9° | 120.2° |
| C10 | C9K | H9K1 | 120.7° | 120.0° |
| H111 | C11 | H112 | 108.7° | 109.4° |
| H111 | C11 | H113 | 108.8° | 109.5° |
| H112 | C11 | H113 | 101.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1K | C1K | C2K | C10 | 173.2° | 179.9° |
| O1K | C1K | C2K | C3K | 178.7° | 180.0° |
| O1K | C1K | C2K | H2K1 | 1.3° | 0.1° |
| O1K | C1K | C10 | C5K | 179.3° | 180.0° |
| O1K | C1K | C10 | C9K | 0.3° | 0.1° |
| C1K | C2K | C3K | H2K1 | 180.0° | 179.9° |
| C1K | C2K | C3K | C4K | 3.1° | 0.3° |
| C1K | C2K | C3K | C11 | 177.1° | 180.0° |
| C2K | C1K | C10 | C5K | 8.0° | 0.1° |
| C2K | C1K | C10 | C9K | 173.0° | 180.0° |
| C10 | C1K | C2K | C3K | 8.1° | 0.1° |
| C10 | C1K | C2K | H2K1 | 172.0° | 180.0° |
| C1K | C10 | C5K | C4K | 2.9° | 0.3° |
| C1K | C10 | C5K | C6K | 179.7° | 180.0° |
| C1K | C10 | C5K | C9K | 179.1° | 179.9° |
| C1K | C10 | C9K | C8K | 179.6° | 180.0° |
| C1K | C10 | C9K | H9K1 | 0.4° | 0.1° |
| C2K | C3K | C4K | C11 | 179.9° | 179.8° |
| C2K | C3K | C4K | O4K | 179.6° | 179.7° |
| C2K | C3K | C4K | C5K | 2.0° | 0.5° |
| C2K | C3K | C11 | H111 | 180.0° | 0.0° |
| C2K | C3K | C11 | H112 | 54.7° | 120.0° |
| C2K | C3K | C11 | H113 | 54.7° | 120.0° |
| H2K1 | C2K | C3K | C4K | 177.0° | 179.8° |
| H2K1 | C2K | C3K | C11 | 2.9° | 0.1° |
| C3K | C4K | O4K | C5K | 177.3° | 179.8° |
| C3K | C4K | C5K | C6K | 174.7° | 179.8° |
| C3K | C4K | C5K | C10 | 2.1° | 0.4° |
| C4K | C3K | C11 | H111 | 0.2° | 179.8° |
| C4K | C3K | C11 | H112 | 125.4° | 60.2° |
| C4K | C3K | C11 | H113 | 125.2° | 59.7° |
| C11 | C3K | C4K | O4K | 0.3° | 0.0° |
| C11 | C3K | C4K | C5K | 177.9° | 179.8° |
| C3K | C11 | H111 | H112 | 125.3° | 120.0° |
| C3K | C11 | H111 | H113 | 125.4° | 120.1° |
| C3K | C11 | H112 | H113 | 114.5° | 120.0° |
| O4K | C4K | C5K | C6K | 2.5° | 0.0° |
| O4K | C4K | C5K | C10 | 179.3° | 179.7° |
| C4K | C5K | C6K | C10 | 176.9° | 179.7° |
| C4K | C5K | C6K | C7K | 178.3° | 179.8° |
| C4K | C5K | C6K | H6K1 | 1.7° | 0.3° |
| C4K | C5K | C10 | C9K | 178.0° | 179.8° |
| C5K | C6K | C7K | H6K1 | 180.0° | 179.9° |
| C5K | C6K | C7K | C8K | 1.0° | 0.0° |
| C5K | C6K | C7K | H7K1 | 179.0° | 179.9° |
| C6K | C5K | C10 | C9K | 1.2° | 0.1° |
| C10 | C5K | C6K | C7K | 1.4° | 0.0° |
| C10 | C5K | C6K | H6K1 | 178.6° | 180.0° |
| C5K | C10 | C9K | C8K | 0.5° | 0.1° |
| C5K | C10 | C9K | H9K1 | 179.4° | 180.0° |
| C6K | C7K | C8K | H7K1 | 180.0° | 179.9° |
| C6K | C7K | C8K | C9K | 0.3° | 0.0° |
| C6K | C7K | C8K | H8K1 | 179.7° | 180.0° |
| H6K1 | C6K | C7K | C8K | 179.0° | 179.9° |
| H6K1 | C6K | C7K | H7K1 | 1.0° | 0.0° |
| C7K | C8K | C9K | H8K1 | 180.0° | 180.0° |
| C7K | C8K | C9K | C10 | 0.1° | 0.0° |
| C7K | C8K | C9K | H9K1 | 179.9° | 180.0° |
| H7K1 | C7K | C8K | C9K | 179.7° | 179.9° |
| H7K1 | C7K | C8K | H8K1 | 0.3° | 0.0° |
| C8K | C9K | C10 | H9K1 | 180.0° | 179.9° |
| H8K1 | C8K | C9K | C10 | 179.9° | 180.0° |
| H8K1 | C8K | C9K | H9K1 | 0.1° | 0.1° |
| H111 | C11 | H112 | H113 | 114.4° | 119.9° |
