HC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | O2 | sing | 1.35Å | 1.79Å | |
| C1 | C2 | sing | 1.42Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | doub | 1.35Å | 1.34Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C1' | sing | 1.47Å | 1.42Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | doub | 1.40Å | 1.41Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.39Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.39Å | 1.39Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.39Å | 1.39Å | Aromatic |
| C4' | O4' | sing | 1.36Å | 1.32Å | |
| C5' | C6' | doub | 1.38Å | 1.37Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| O4' | HO4' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 119.5° | 120.0° |
| O1 | C1 | C2 | 127.6° | 120.0° |
| O2 | C1 | C2 | 112.8° | 120.0° |
| C1 | O2 | HO2 | 109.5° | 114.0° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C3 | C2 | H2 | 119.9° | 120.0° |
| C2 | C3 | C1' | 126.8° | 120.0° |
| C2 | C3 | H3 | 116.6° | 120.0° |
| C1' | C3 | H3 | 116.6° | 120.0° |
| C3 | C1' | C2' | 120.4° | 120.1° |
| C3 | C1' | C6' | 122.3° | 120.1° |
| C2' | C1' | C6' | 117.2° | 119.8° |
| C1' | C2' | C3' | 120.6° | 119.9° |
| C1' | C2' | H2' | 119.7° | 120.1° |
| C1' | C6' | C5' | 121.8° | 119.9° |
| C1' | C6' | H6' | 119.1° | 120.1° |
| C3' | C2' | H2' | 119.7° | 120.1° |
| C2' | C3' | C4' | 121.0° | 120.1° |
| C2' | C3' | H3' | 119.5° | 119.9° |
| C4' | C3' | H3' | 119.5° | 120.0° |
| C3' | C4' | C5' | 118.2° | 120.2° |
| C3' | C4' | O4' | 120.4° | 119.9° |
| C5' | C4' | O4' | 121.4° | 119.8° |
| C4' | C5' | C6' | 120.7° | 120.1° |
| C4' | C5' | H5' | 119.6° | 119.9° |
| C4' | O4' | HO4' | 109.5° | 114.0° |
| C6' | C5' | H5' | 119.7° | 119.9° |
| C5' | C6' | H6' | 119.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 176.3° | 179.7° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.1° |
| O1 | C1 | C2 | C3 | 10.5° | 0.0° |
| O1 | C1 | C2 | H2 | 169.5° | 180.0° |
| O2 | C1 | C2 | C3 | 173.6° | 179.7° |
| O2 | C1 | C2 | H2 | 6.4° | 0.3° |
| C2 | C1 | O2 | HO2 | 176.3° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C1' | 171.1° | 180.0° |
| C1 | C2 | C3 | H3 | 8.9° | 0.0° |
| C2 | C3 | C1' | H3 | 180.0° | 180.0° |
| C2 | C3 | C1' | C2' | 174.5° | 180.0° |
| C2 | C3 | C1' | C6' | 10.1° | 0.3° |
| H2 | C2 | C3 | C1' | 8.9° | 0.0° |
| H2 | C2 | C3 | H3 | 171.1° | 179.9° |
| C3 | C1' | C2' | C6' | 175.7° | 179.7° |
| C3 | C1' | C2' | C3' | 179.1° | 180.0° |
| C3 | C1' | C2' | H2' | 0.9° | 0.0° |
| C3 | C1' | C6' | C5' | 180.0° | 179.7° |
| C3 | C1' | C6' | H6' | 0.0° | 0.0° |
| H3 | C3 | C1' | C2' | 5.5° | 0.0° |
| H3 | C3 | C1' | C6' | 169.9° | 179.7° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.8° | 0.0° |
| C1' | C2' | C3' | H3' | 179.2° | 180.0° |
| C2' | C1' | C6' | C5' | 4.4° | 0.5° |
| C2' | C1' | C6' | H6' | 175.6° | 179.7° |
| C6' | C1' | C2' | C3' | 5.3° | 0.2° |
| C6' | C1' | C2' | H2' | 174.7° | 179.8° |
| C1' | C6' | C5' | C4' | 1.0° | 0.5° |
| C1' | C6' | C5' | H6' | 180.0° | 179.8° |
| C1' | C6' | C5' | H5' | 179.0° | 179.7° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 4.6° | 0.0° |
| C2' | C3' | C4' | O4' | 173.7° | 180.0° |
| H2' | C2' | C3' | C4' | 179.2° | 180.0° |
| H2' | C2' | C3' | H3' | 0.8° | 0.0° |
| C3' | C4' | C5' | O4' | 178.3° | 180.0° |
| C3' | C4' | C5' | C6' | 5.6° | 0.2° |
| C3' | C4' | C5' | H5' | 174.4° | 180.0° |
| C3' | C4' | O4' | HO4' | 180.0° | 89.9° |
| H3' | C3' | C4' | C5' | 175.4° | 180.0° |
| H3' | C3' | C4' | O4' | 6.3° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 179.0° | 179.7° |
| C5' | C4' | O4' | HO4' | 1.7° | 90.0° |
| O4' | C4' | C5' | C6' | 172.7° | 179.7° |
| O4' | C4' | C5' | H5' | 7.3° | 0.1° |
| H5' | C5' | C6' | H6' | 1.0° | 0.1° |
